data_1HT # _chem_comp.id 1HT _chem_comp.name "(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)-3a,4-bis(butanoyloxy)-3-hydroxy-3,6,9-trimethyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-7-yl octanoate" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C38 H56 O13" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2013-02-07 _chem_comp.pdbx_modified_date 2013-06-14 _chem_comp.pdbx_ambiguous_flag N _chem_comp.pdbx_release_status REL _chem_comp.pdbx_replaced_by ? _chem_comp.pdbx_replaces ? _chem_comp.formula_weight 720.843 _chem_comp.one_letter_code ? _chem_comp.three_letter_code 1HT _chem_comp.pdbx_model_coordinates_details ? _chem_comp.pdbx_model_coordinates_missing_flag N _chem_comp.pdbx_ideal_coordinates_details Corina _chem_comp.pdbx_ideal_coordinates_missing_flag N _chem_comp.pdbx_model_coordinates_db_code 4J2T _chem_comp.pdbx_subcomponent_list ? _chem_comp.pdbx_processing_site RCSB # loop_ _chem_comp_atom.comp_id _chem_comp_atom.atom_id _chem_comp_atom.alt_atom_id _chem_comp_atom.type_symbol _chem_comp_atom.charge _chem_comp_atom.pdbx_align _chem_comp_atom.pdbx_aromatic_flag _chem_comp_atom.pdbx_leaving_atom_flag _chem_comp_atom.pdbx_stereo_config _chem_comp_atom.model_Cartn_x _chem_comp_atom.model_Cartn_y _chem_comp_atom.model_Cartn_z _chem_comp_atom.pdbx_model_Cartn_x_ideal _chem_comp_atom.pdbx_model_Cartn_y_ideal _chem_comp_atom.pdbx_model_Cartn_z_ideal _chem_comp_atom.pdbx_component_atom_id _chem_comp_atom.pdbx_component_comp_id _chem_comp_atom.pdbx_ordinal 1HT CAB CAB C 0 1 N N N -6.225 -3.631 -72.763 11.551 2.989 -1.025 CAB 1HT 1 1HT CAR CAR C 0 1 N N N -5.411 -4.796 -72.303 10.432 2.448 -0.134 CAR 1HT 2 1HT CAU CAU C 0 1 N N N -5.909 -5.521 -71.095 9.143 2.328 -0.950 CAU 1HT 3 1HT CAV CAV C 0 1 N N N -5.053 -5.477 -69.830 8.024 1.786 -0.058 CAV 1HT 4 1HT CAW CAW C 0 1 N N N -5.640 -6.032 -68.554 6.735 1.666 -0.874 CAW 1HT 5 1HT CAX CAX C 0 1 N N N -5.584 -5.006 -67.442 5.615 1.125 0.018 CAX 1HT 6 1HT CBA CBA C 0 1 N N N -5.782 -5.541 -66.036 4.327 1.005 -0.798 CBA 1HT 7 1HT CBL CBL C 0 1 N N N -7.214 -5.521 -65.512 3.224 0.472 0.080 CBL 1HT 8 1HT OAL OAL O 0 1 N N N -8.082 -5.284 -66.337 3.446 0.214 1.239 OAL 1HT 9 1HT OBD OBD O 0 1 N N N -7.383 -5.155 -64.181 1.995 0.283 -0.426 OBD 1HT 10 1HT CBT CBT C 0 1 N N S -8.455 -4.438 -63.804 0.983 -0.233 0.478 CBT 1HT 11 1HT CBV CBV C 0 1 N N R -8.835 -4.698 -62.371 -0.398 0.268 0.083 CBV 1HT 12 1HT CBX CBX C 0 1 N N S -10.152 -5.571 -62.029 -0.936 1.440 0.798 CBX 1HT 13 1HT OBG OBG O 0 1 N N N -9.726 -6.601 -62.812 0.176 2.247 1.269 OBG 1HT 14 1HT CBI CBI C 0 1 N N N -10.398 -7.745 -63.184 0.948 2.825 0.335 CBI 1HT 15 1HT OAJ OAJ O 0 1 N N N -11.507 -7.635 -63.669 0.681 2.693 -0.836 OAJ 1HT 16 1HT CAE CAE C 0 1 N N N -9.531 -8.870 -63.683 2.146 3.640 0.748 CAE 1HT 17 1HT CAI CAI C 0 1 N N N -11.406 -5.122 -62.676 -1.727 0.951 2.013 CAI 1HT 18 1HT CBB CBB C 0 1 N N N -10.232 -6.172 -60.657 -1.850 2.321 -0.057 CBB 1HT 19 1HT CBR CBR C 0 1 N N S -10.215 -5.276 -59.428 -3.204 1.689 -0.223 CBR 1HT 20 1HT OBC OBC O 0 1 N N N -11.362 -4.558 -59.333 -3.760 1.426 1.092 OBC 1HT 21 1HT CBK CBK C 0 1 N N N -12.444 -4.998 -58.540 -4.500 2.398 1.647 CBK 1HT 22 1HT OAK OAK O 0 1 N N N -12.203 -5.247 -57.376 -4.677 3.436 1.053 OAK 1HT 23 1HT CAY CAY C 0 1 N N N -13.662 -4.182 -58.791 -5.110 2.197 3.010 CAY 1HT 24 1HT CAS CAS C 0 1 N N N -13.808 -3.184 -57.672 -5.898 3.448 3.406 CAS 1HT 25 1HT CAC CAC C 0 1 N N N -15.117 -2.467 -57.651 -6.517 3.243 4.790 CAC 1HT 26 1HT CBY CBY C 0 1 N N R -9.111 -4.167 -59.194 -3.161 0.405 -0.994 CBY 1HT 27 1HT OBH OBH O 0 1 N N N -7.971 -4.902 -58.866 -2.191 0.528 -2.067 OBH 1HT 28 1HT CBM CBM C 0 1 N N N -6.621 -4.754 -59.248 -2.038 -0.533 -2.875 CBM 1HT 29 1HT OAM OAM O 0 1 N N N -6.106 -5.729 -59.761 -2.763 -1.492 -2.757 OAM 1HT 30 1HT CAZ CAZ C 0 1 N N N -5.721 -4.071 -58.250 -0.961 -0.528 -3.930 CAZ 1HT 31 1HT CAT CAT C 0 1 N N N -4.802 -2.961 -58.703 -1.002 -1.846 -4.706 CAT 1HT 32 1HT CAD CAD C 0 1 N N N -3.914 -2.265 -57.696 0.092 -1.841 -5.777 CAD 1HT 33 1HT CBW CBW C 0 1 N N S -9.317 -3.233 -58.087 -4.521 -0.001 -1.592 CBW 1HT 34 1HT CAH CAH C 0 1 N N N -9.204 -3.816 -56.688 -4.605 0.409 -3.064 CAH 1HT 35 1HT OAP OAP O 0 1 N N N -10.584 -2.696 -58.145 -5.591 0.584 -0.848 OAP 1HT 36 1HT CBP CBP C 0 1 N N N -8.397 -2.102 -58.413 -4.538 -1.515 -1.457 CBP 1HT 37 1HT OAO OAO O 0 1 N N N -8.910 -0.844 -58.534 -5.443 -2.235 -1.804 OAO 1HT 38 1HT OBF OBF O 0 1 N N N -7.918 -2.417 -59.717 -3.385 -1.930 -0.891 OBF 1HT 39 1HT CBU CBU C 0 1 N N S -8.955 -3.142 -60.236 -2.822 -0.817 -0.161 CBU 1HT 40 1HT CBQ CBQ C 0 1 N N N -8.954 -3.312 -61.798 -1.296 -0.929 -0.060 CBQ 1HT 41 1HT CBN CBN C 0 1 N N N -8.111 -2.286 -62.571 -0.607 -2.030 0.027 CBN 1HT 42 1HT CAG CAG C 0 1 N N N -8.805 -1.051 -62.371 -1.193 -3.407 -0.153 CAG 1HT 43 1HT CBS CBS C 0 1 N N S -8.262 -2.933 -63.968 0.846 -1.764 0.328 CBS 1HT 44 1HT OBE OBE O 0 1 N N N -9.273 -2.481 -64.717 1.228 -2.422 1.565 OBE 1HT 45 1HT CBO CBO C 0 1 N N N -8.975 -2.235 -66.089 1.758 -3.657 1.463 CBO 1HT 46 1HT OAN OAN O 0 1 N N N -7.972 -1.590 -66.358 1.898 -4.170 0.370 OAN 1HT 47 1HT CBJ CBJ C 0 1 N N N -10.115 -2.358 -67.227 2.168 -4.383 2.673 CBJ 1HT 48 1HT CAF CAF C 0 1 N N N -9.633 -3.082 -68.563 1.994 -3.748 4.028 CAF 1HT 49 1HT CAQ CAQ C 0 1 N N N -11.511 -2.969 -66.728 2.692 -5.602 2.572 CAQ 1HT 50 1HT CAA CAA C 0 1 N N N -12.620 -1.988 -66.519 3.112 -6.347 3.813 CAA 1HT 51 1HT H1 H1 H 0 1 N N N -5.758 -3.185 -73.653 12.469 3.075 -0.444 H1 1HT 52 1HT H2 H2 H 0 1 N N N -7.241 -3.970 -73.013 11.712 2.308 -1.861 H2 1HT 53 1HT H3 H3 H 0 1 N N N -6.276 -2.880 -71.961 11.269 3.971 -1.406 H3 1HT 54 1HT H4 H4 H 0 1 N N N -5.364 -5.519 -73.131 10.713 1.466 0.247 H4 1HT 55 1HT H5 H5 H 0 1 N N N -4.399 -4.429 -72.079 10.271 3.129 0.702 H5 1HT 56 1HT H6 H6 H 0 1 N N N -6.891 -5.097 -70.840 8.861 3.310 -1.330 H6 1HT 57 1HT H7 H7 H 0 1 N N N -4.132 -6.042 -70.039 8.305 0.805 0.322 H7 1HT 58 1HT H8 H8 H 0 1 N N N -6.688 -6.313 -68.732 6.453 2.648 -1.255 H8 1HT 59 1HT H9 H9 H 0 1 N N N -5.068 -6.922 -68.252 6.896 0.985 -1.709 H9 1HT 60 1HT H10 H10 H 0 1 N N N -4.598 -4.519 -67.482 5.897 0.143 0.398 H10 1HT 61 1HT H11 H11 H 0 1 N N N -6.369 -4.260 -67.632 5.455 1.806 0.853 H11 1HT 62 1HT H12 H12 H 0 1 N N N -5.431 -6.584 -66.019 4.045 1.987 -1.179 H12 1HT 63 1HT H13 H13 H 0 1 N N N -5.165 -4.936 -65.355 4.487 0.324 -1.634 H13 1HT 64 1HT H14 H14 H 0 1 N N N -9.318 -4.720 -64.425 1.212 0.038 1.508 H14 1HT 65 1HT H15 H15 H 0 1 N N N -7.987 -5.198 -61.880 -0.269 0.610 -0.944 H15 1HT 66 1HT H16 H16 H 0 1 N N N -10.076 -9.441 -64.449 2.838 3.011 1.308 H16 1HT 67 1HT H17 H17 H 0 1 N N N -8.610 -8.457 -64.119 2.645 4.027 -0.141 H17 1HT 68 1HT H18 H18 H 0 1 N N N -9.274 -9.534 -62.845 1.823 4.471 1.374 H18 1HT 69 1HT H19 H19 H 0 1 N N N -11.831 -4.281 -62.109 -1.042 0.520 2.743 H19 1HT 70 1HT H20 H20 H 0 1 N N N -11.192 -4.799 -63.705 -2.258 1.789 2.463 H20 1HT 71 1HT H21 H21 H 0 1 N N N -12.126 -5.953 -62.695 -2.445 0.193 1.697 H21 1HT 72 1HT H22 H22 H 0 1 N N N -11.169 -6.747 -60.617 -1.964 3.292 0.424 H22 1HT 73 1HT H23 H23 H 0 1 N N N -9.377 -6.857 -60.561 -1.397 2.460 -1.039 H23 1HT 74 1HT H24 H24 H 0 1 N N N -10.152 -5.946 -58.558 -3.856 2.388 -0.745 H24 1HT 75 1HT H27 H27 H 0 1 N N N -13.563 -3.652 -59.750 -5.781 1.338 2.984 H27 1HT 76 1HT H28 H28 H 0 1 N N N -14.546 -4.835 -58.823 -4.320 2.019 3.739 H28 1HT 77 1HT H29 H29 H 0 1 N N N -13.693 -3.718 -56.717 -5.227 4.306 3.432 H29 1HT 78 1HT H30 H30 H 0 1 N N N -13.008 -2.436 -57.772 -6.688 3.626 2.677 H30 1HT 79 1HT H31 H31 H 0 1 N N N -15.136 -1.762 -56.806 -7.078 4.134 5.072 H31 1HT 80 1HT H32 H32 H 0 1 N N N -15.247 -1.914 -58.593 -7.188 2.384 4.765 H32 1HT 81 1HT H33 H33 H 0 1 N N N -15.933 -3.196 -57.538 -5.727 3.065 5.519 H33 1HT 82 1HT H36 H36 H 0 1 N N N -6.373 -3.647 -57.472 -1.127 0.303 -4.615 H36 1HT 83 1HT H37 H37 H 0 1 N N N -4.140 -3.388 -59.470 -0.835 -2.677 -4.021 H37 1HT 84 1HT H38 H38 H 0 1 N N N -3.320 -1.491 -58.204 0.063 -2.780 -6.330 H38 1HT 85 1HT H39 H39 H 0 1 N N N -4.537 -1.798 -56.919 -0.074 -1.010 -6.462 H39 1HT 86 1HT H40 H40 H 0 1 N N N -3.240 -3.000 -57.232 1.066 -1.730 -5.300 H40 1HT 87 1HT H41 H41 H 0 1 N N N -9.377 -3.024 -55.945 -3.927 -0.210 -3.652 H41 1HT 88 1HT H42 H42 H 0 1 N N N -9.955 -4.609 -56.560 -5.625 0.271 -3.421 H42 1HT 89 1HT H43 H43 H 0 1 N N N -8.198 -4.237 -56.547 -4.322 1.456 -3.166 H43 1HT 90 1HT H44 H44 H 0 1 N N N -10.526 -1.763 -58.316 -6.471 0.361 -1.182 H44 1HT 91 1HT H47 H47 H 0 1 N N N -9.832 -2.497 -60.077 -3.278 -0.751 0.827 H47 1HT 92 1HT H50 H50 H 0 1 N N N -8.624 -0.690 -61.348 -1.133 -3.694 -1.203 H50 1HT 93 1HT H51 H51 H 0 1 N N N -8.441 -0.305 -63.093 -0.633 -4.122 0.451 H51 1HT 94 1HT H52 H52 H 0 1 N N N -9.884 -1.209 -62.519 -2.236 -3.403 0.164 H52 1HT 95 1HT H53 H53 H 0 1 N N N -7.310 -2.782 -64.497 1.470 -2.118 -0.493 H53 1HT 96 1HT H55 H55 H 0 1 N N N -8.675 -2.650 -68.890 2.892 -3.185 4.283 H55 1HT 97 1HT H56 H56 H 0 1 N N N -9.504 -4.157 -68.371 1.137 -3.075 4.007 H56 1HT 98 1HT H57 H57 H 0 1 N N N -10.387 -2.938 -69.350 1.828 -4.524 4.775 H57 1HT 99 1HT H58 H58 H 0 1 N N N -11.643 -4.027 -66.553 2.816 -6.058 1.600 H58 1HT 100 1HT H60 H60 H 0 1 N N N -13.521 -2.519 -66.179 2.248 -6.485 4.464 H60 1HT 101 1HT H61 H61 H 0 1 N N N -12.320 -1.252 -65.758 3.515 -7.321 3.533 H61 1HT 102 1HT H62 H62 H 0 1 N N N -12.835 -1.470 -67.466 3.876 -5.775 4.339 H62 1HT 103 1HT H63 H63 H 0 1 N N N -6.027 -6.579 -71.374 9.304 1.647 -1.785 H63 1HT 104 1HT H64 H64 H 0 1 N N N -4.802 -4.423 -69.642 7.863 2.468 0.777 H64 1HT 105 1HT H25 H25 H 0 1 N N N -5.084 -4.852 -57.809 0.014 -0.417 -3.453 H25 1HT 106 1HT H26 H26 H 0 1 N N N -5.437 -2.186 -59.157 -1.976 -1.957 -5.182 H26 1HT 107 # loop_ _chem_comp_bond.comp_id _chem_comp_bond.atom_id_1 _chem_comp_bond.atom_id_2 _chem_comp_bond.value_order _chem_comp_bond.pdbx_aromatic_flag _chem_comp_bond.pdbx_stereo_config _chem_comp_bond.pdbx_ordinal 1HT CAB CAR SING N N 1 1HT CAR CAU SING N N 2 1HT CAU CAV SING N N 3 1HT CAV CAW SING N N 4 1HT CAF CBJ SING N N 5 1HT CAW CAX SING N N 6 1HT CAX CBA SING N N 7 1HT CBJ CAQ DOUB N E 8 1HT CBJ CBO SING N N 9 1HT CAQ CAA SING N N 10 1HT OAN CBO DOUB N N 11 1HT OAL CBL DOUB N N 12 1HT CBO OBE SING N N 13 1HT CBA CBL SING N N 14 1HT CBL OBD SING N N 15 1HT OBE CBS SING N N 16 1HT OBD CBT SING N N 17 1HT CBS CBT SING N N 18 1HT CBS CBN SING N N 19 1HT CBT CBV SING N N 20 1HT CAE CBI SING N N 21 1HT OAJ CBI DOUB N N 22 1HT CBI OBG SING N N 23 1HT OBG CBX SING N N 24 1HT CAI CBX SING N N 25 1HT CBN CAG SING N N 26 1HT CBN CBQ DOUB N N 27 1HT CBV CBX SING N N 28 1HT CBV CBQ SING N N 29 1HT CBX CBB SING N N 30 1HT CBQ CBU SING N N 31 1HT CBB CBR SING N N 32 1HT CBU OBF SING N N 33 1HT CBU CBY SING N N 34 1HT OAM CBM DOUB N N 35 1HT OBF CBP SING N N 36 1HT CBR OBC SING N N 37 1HT CBR CBY SING N N 38 1HT OBC CBK SING N N 39 1HT CBM OBH SING N N 40 1HT CBM CAZ SING N N 41 1HT CBY OBH SING N N 42 1HT CBY CBW SING N N 43 1HT CAY CBK SING N N 44 1HT CAY CAS SING N N 45 1HT CAT CAZ SING N N 46 1HT CAT CAD SING N N 47 1HT CBK OAK DOUB N N 48 1HT OAO CBP DOUB N N 49 1HT CBP CBW SING N N 50 1HT OAP CBW SING N N 51 1HT CBW CAH SING N N 52 1HT CAS CAC SING N N 53 1HT CAB H1 SING N N 54 1HT CAB H2 SING N N 55 1HT CAB H3 SING N N 56 1HT CAR H4 SING N N 57 1HT CAR H5 SING N N 58 1HT CAU H6 SING N N 59 1HT CAV H7 SING N N 60 1HT CAW H8 SING N N 61 1HT CAW H9 SING N N 62 1HT CAX H10 SING N N 63 1HT CAX H11 SING N N 64 1HT CBA H12 SING N N 65 1HT CBA H13 SING N N 66 1HT CBT H14 SING N N 67 1HT CBV H15 SING N N 68 1HT CAE H16 SING N N 69 1HT CAE H17 SING N N 70 1HT CAE H18 SING N N 71 1HT CAI H19 SING N N 72 1HT CAI H20 SING N N 73 1HT CAI H21 SING N N 74 1HT CBB H22 SING N N 75 1HT CBB H23 SING N N 76 1HT CBR H24 SING N N 77 1HT CAY H27 SING N N 78 1HT CAY H28 SING N N 79 1HT CAS H29 SING N N 80 1HT CAS H30 SING N N 81 1HT CAC H31 SING N N 82 1HT CAC H32 SING N N 83 1HT CAC H33 SING N N 84 1HT CAZ H36 SING N N 85 1HT CAT H37 SING N N 86 1HT CAD H38 SING N N 87 1HT CAD H39 SING N N 88 1HT CAD H40 SING N N 89 1HT CAH H41 SING N N 90 1HT CAH H42 SING N N 91 1HT CAH H43 SING N N 92 1HT OAP H44 SING N N 93 1HT CBU H47 SING N N 94 1HT CAG H50 SING N N 95 1HT CAG H51 SING N N 96 1HT CAG H52 SING N N 97 1HT CBS H53 SING N N 98 1HT CAF H55 SING N N 99 1HT CAF H56 SING N N 100 1HT CAF H57 SING N N 101 1HT CAQ H58 SING N N 102 1HT CAA H60 SING N N 103 1HT CAA H61 SING N N 104 1HT CAA H62 SING N N 105 1HT CAU H63 SING N N 106 1HT CAV H64 SING N N 107 1HT CAZ H25 SING N N 108 1HT CAT H26 SING N N 109 # loop_ _pdbx_chem_comp_descriptor.comp_id _pdbx_chem_comp_descriptor.type _pdbx_chem_comp_descriptor.program _pdbx_chem_comp_descriptor.program_version _pdbx_chem_comp_descriptor.descriptor 1HT SMILES ACDLabs 12.01 "O=C3OC2C1=C(C(OC(=O)/C(=C/C)C)C(OC(=O)CCCCCCC)C1C(OC(=O)C)(CC(OC(=O)CCC)C2(OC(=O)CCC)C3(O)C)C)C" 1HT InChI InChI 1.03 "InChI=1S/C38H56O13/c1-10-14-15-16-17-20-27(41)47-32-30-29(23(6)31(32)48-34(43)22(5)13-4)33-38(51-28(42)19-12-3,37(9,45)35(44)49-33)25(46-26(40)18-11-2)21-36(30,8)50-24(7)39/h13,25,30-33,45H,10-12,14-21H2,1-9H3/t25-,30+,31-,32-,33-,36-,37+,38+/m0/s1" 1HT InChIKey InChI 1.03 ARWTVHVQANENHV-XDRCOMTCSA-N 1HT SMILES_CANONICAL CACTVS 3.370 "CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)\C(C)=C\C)C(=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(OC(=O)CCC)[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC)C" 1HT SMILES CACTVS 3.370 "CCCCCCCC(=O)O[CH]1[CH](OC(=O)C(C)=CC)C(=C2[CH]3OC(=O)[C](C)(O)[C]3(OC(=O)CCC)[CH](C[C](C)(OC(C)=O)[CH]12)OC(=O)CCC)C" 1HT SMILES_CANONICAL "OpenEye OEToolkits" 1.7.6 "CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)C(=CC)C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)OC(=O)CCC" 1HT SMILES "OpenEye OEToolkits" 1.7.6 "CCCCCCCC(=O)OC1C2C(=C(C1OC(=O)C(=CC)C)C)C3C(C(CC2(C)OC(=O)C)OC(=O)CCC)(C(C(=O)O3)(C)O)OC(=O)CCC" # loop_ _pdbx_chem_comp_identifier.comp_id _pdbx_chem_comp_identifier.type _pdbx_chem_comp_identifier.program _pdbx_chem_comp_identifier.program_version _pdbx_chem_comp_identifier.identifier 1HT "SYSTEMATIC NAME" ACDLabs 12.01 "(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)-3a,4-bis(butanoyloxy)-3-hydroxy-3,6,9-trimethyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-7-yl octanoate" 1HT "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.6 "[(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetyloxy-3a,4-di(butanoyloxy)-3,6,9-trimethyl-8-(2-methylbut-2-enoyloxy)-3-oxidanyl-2-oxidanylidene-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] octanoate" # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site 1HT "Create component" 2013-02-07 RCSB 1HT "Initial release" 2013-06-19 RCSB #