10360683 -OEChem-10061700233D 58 62 0 1 0 0 0 0 0999 V2000 3.7415 -0.7560 -0.4887 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6141 -0.4486 1.7783 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5029 0.8326 0.1181 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3021 -0.2993 -0.5556 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9279 0.9437 -0.4173 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6748 -0.4068 -0.1415 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6084 -1.6279 -0.2324 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6611 -0.0953 0.1413 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4343 2.0375 0.0116 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8653 -1.6218 -0.6791 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1761 -0.3625 -0.6158 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8427 1.4350 0.1652 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6751 2.1252 0.2191 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4497 -0.1576 -2.0922 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1238 2.1953 -0.2527 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8243 0.8832 -0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3078 -0.2946 -2.1542 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9036 -1.6294 -0.1875 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9233 0.8476 0.7685 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9970 -1.6704 0.5802 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9285 -0.5054 0.1335 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5962 -0.4261 1.0948 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0267 0.1603 -0.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2501 -0.7818 1.4008 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2206 -0.0424 0.3185 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6407 -0.3344 1.7058 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4197 0.6087 1.1951 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8920 1.1270 -1.4967 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6958 -0.5309 0.9542 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6420 -1.8180 0.8483 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1343 -2.4644 -0.7082 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5662 -0.4583 1.1756 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2333 2.7807 0.7899 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3350 2.5376 -0.9582 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9095 -1.6527 -1.7722 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3141 -2.5570 -0.3272 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4864 1.7969 -0.6439 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2977 1.7555 1.1093 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1763 3.0677 -0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6491 2.0380 1.3133 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4893 -0.1461 -2.6138 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9771 0.7582 -2.3774 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0241 -0.9972 -2.5006 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1621 2.4376 -1.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6242 3.0222 0.2659 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3545 -0.1577 -2.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7397 0.5322 -2.5908 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9581 -1.2151 -2.6356 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5273 -2.5791 -0.5608 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3503 1.7482 1.1971 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4750 -2.6101 0.8313 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2064 -0.3029 -1.5916 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8155 1.2243 -0.7609 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6003 -1.2516 2.1244 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8886 0.8251 0.3271 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8135 -0.9019 -0.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6222 0.5641 2.3312 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2161 -1.1117 2.2168 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 21 1 0 0 0 0 2 22 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 3 27 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 14 1 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 5 28 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 29 1 0 0 0 0 7 10 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 12 1 0 0 0 0 8 32 1 0 0 0 0 9 12 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 15 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 19 2 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 20 2 0 0 0 0 18 49 1 0 0 0 0 19 22 1 0 0 0 0 19 50 1 0 0 0 0 20 22 1 0 0 0 0 20 51 1 0 0 0 0 21 23 1 0 0 0 0 21 24 2 0 0 0 0 23 25 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 26 1 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 M END > DB13484 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/IUVKMZGDUIUOCP-BTNSXGMBSA-N/SDF?record_type=3d > C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2OC1=CCCC1 > InChI=1S/C24H32O2/c1-23-13-11-17(25)15-16(23)7-8-19-20-9-10-22(26-18-5-3-4-6-18)24(20,2)14-12-21(19)23/h5,11,13,15,19-22H,3-4,6-10,12,14H2,1-2H3/t19-,20-,21-,22-,23-,24-/m0/s1 > IUVKMZGDUIUOCP-BTNSXGMBSA-N > C24H32O2 > 352.518 > 352.24023027 > 2 > 58 > 42.18614187219289 > 1 > 0 > 0 > 1 > (1S,2R,10R,11S,14S,15S)-14-(cyclopent-1-en-1-yloxy)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-5-one > 4.64 > 5.028818554666666 > -5.55 > 0 > 5 > 0 > 18.863603573834954 > -4.572677695945815 > 26.3 > 108.1809 > 2 > 0 > 1.00e-03 g/l > (1S,2R,10R,11S,14S,15S)-14-(cyclopent-1-en-1-yloxy)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-5-one > 1 $$$$