5280795 -OEChem-10051719093D 72 74 0 1 0 0 0 0 0999 V2000 -6.6365 -0.6900 -2.1167 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2287 1.2867 0.2961 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4804 0.4095 0.5543 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2181 0.1800 -0.0951 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9307 -0.8174 1.3117 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4342 -0.9016 0.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3933 2.2852 -0.8742 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6419 1.0789 1.2749 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1547 0.7401 -0.3611 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8131 2.0650 1.5717 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1749 2.3379 -1.8163 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1663 2.0457 -1.1304 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 0.1405 1.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0843 2.3316 0.5078 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2980 0.1554 0.0256 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4379 -0.4595 0.1703 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5887 -1.4392 0.4214 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6009 0.7067 -0.2517 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2217 -1.9863 -0.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7457 0.1218 0.1352 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0970 0.7066 -0.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7443 -0.8761 -1.7861 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1975 -2.8353 -1.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7817 -1.1345 0.8771 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0565 -0.3335 -0.8012 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.7286 -2.1737 0.3293 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1213 -1.5944 0.0631 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0558 -1.3497 1.9856 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8229 0.0562 -0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5449 -0.2659 -1.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4533 -1.7295 1.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0520 -0.7215 2.3968 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1679 -1.8959 0.5934 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1650 -0.7183 1.8674 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2575 2.0329 -1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5625 3.3008 -0.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3366 1.3901 2.2816 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1478 2.5726 1.4471 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7166 1.4121 2.4449 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5372 2.8425 1.8325 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3241 1.6047 -2.6207 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1359 3.3180 -2.3066 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4081 2.8732 -0.4533 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9204 2.0291 -1.9256 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5673 -0.6812 2.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6488 0.6833 1.9838 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3861 3.1612 0.6234 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0352 2.7014 0.9111 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2485 2.1368 -0.5559 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2037 -0.8114 0.5004 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7807 0.3615 -0.4658 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6498 -0.9869 -0.3719 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2326 -2.2734 1.0384 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3673 -0.9309 1.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6756 1.6448 -0.7913 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0636 -2.6294 -0.5883 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9852 1.5337 -0.9234 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5366 1.1241 0.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9375 -0.2890 -2.2357 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3257 -1.3074 -2.6086 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4027 -0.1962 -1.2356 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3857 -2.2348 -2.0531 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6831 -3.3532 -2.4658 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7599 -3.5994 -0.9801 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0579 0.1002 -0.8932 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3097 -2.5855 -0.5976 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8280 -3.0191 1.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7294 -2.3585 -0.4352 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6060 -1.3570 1.0184 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1165 -2.2969 2.5131 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4208 -0.5914 2.4321 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7073 -0.9711 -2.0857 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 72 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 2 10 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 29 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 11 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 8 37 1 0 0 0 0 9 12 1 0 0 0 0 9 15 2 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 16 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 18 1 0 0 0 0 15 50 1 0 0 0 0 16 17 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 19 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 18 20 2 0 0 0 0 18 55 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 19 56 1 0 0 0 0 20 21 1 0 0 0 0 20 24 1 0 0 0 0 21 25 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 22 61 1 0 0 0 0 23 62 1 0 0 0 0 23 63 1 0 0 0 0 23 64 1 0 0 0 0 24 26 1 0 0 0 0 24 28 2 0 0 0 0 25 27 1 0 0 0 0 25 65 1 0 0 0 0 26 27 1 0 0 0 0 26 66 1 0 0 0 0 26 67 1 0 0 0 0 27 68 1 0 0 0 0 27 69 1 0 0 0 0 28 70 1 0 0 0 0 28 71 1 0 0 0 0 M END > DB00169 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/QYSXJUFSXHHAJI-YRZJJWOYSA-N/SDF?record_type=3d > CC(C)CCC[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C > InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1 > QYSXJUFSXHHAJI-YRZJJWOYSA-N > C27H44O > 384.6377 > 384.33921603 > 1 > 72 > 4.798854262612722e-09 > 49.63029019999946 > 1 > 1 > 0 > 0 > (1S,3Z)-3-{2-[(1R,3aS,4E,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol > 7.98 > 7.125460754666667 > -6.01 > 1 > 0 > 3 > 0 > 18.384341369959035 > -1.3184890847799178 > 20.23 > 123.22449999999996 > 6 > 0 > 3.80e-04 g/l > biotin > 1 $$$$