5997 -OEChem-05241818353D 74 77 0 1 0 0 0 0 0999 V2000 7.4996 1.5828 -0.3199 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8177 -1.1082 -0.2032 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1192 -0.4371 0.9962 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4069 -0.5652 0.9577 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9478 0.0601 -0.3611 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2919 -0.8444 0.1890 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3507 -0.3835 -1.4733 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5192 -0.0819 -0.4669 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8724 -0.9821 2.2059 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1802 -0.4327 -1.6188 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3228 -1.1293 1.7092 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0419 0.1295 2.1715 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3507 -1.6209 -0.5805 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5360 -2.6262 -0.3284 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1902 0.2693 0.8685 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 0.9005 -1.5654 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5099 0.3709 2.0236 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9298 -1.5261 -0.8427 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6816 0.5131 0.8483 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5422 1.0788 -1.6005 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7871 -1.2758 -0.1342 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0799 1.5067 -0.2396 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2110 -1.3511 -2.0841 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1857 0.2026 -0.2341 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5950 0.4923 0.2927 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0210 1.9641 0.1265 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9608 2.4322 -1.3284 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1320 2.8612 0.9919 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3420 0.6430 0.9624 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6832 -1.6247 1.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7287 1.1384 -0.2924 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4681 0.2316 0.0536 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6679 0.6670 -1.4515 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7587 -0.8152 -2.3872 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8128 -0.3057 3.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4762 -1.9538 2.5211 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4682 -1.4584 -1.8669 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4577 0.1809 -2.4834 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6868 -2.1380 1.9354 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9829 -0.4196 2.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8749 -0.4861 3.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5596 1.0968 2.3598 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2280 -2.6991 -0.4184 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9839 -3.0472 -1.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5324 -2.8514 -0.3834 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9299 -3.1942 0.5205 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5741 1.8900 -1.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6971 0.5660 -2.5568 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0374 0.6439 2.9344 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6098 -1.7868 -1.8567 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0153 -1.6694 -0.8217 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5014 -2.2625 -0.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0427 0.8850 1.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2092 -0.4372 0.6979 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0327 0.1540 -1.9285 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8095 1.8311 -2.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4968 -1.8725 -0.7224 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9223 -1.6028 0.9045 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7045 2.5078 0.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0371 -0.2938 -2.3068 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1284 -1.6408 -2.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4266 -1.9624 -2.5342 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4754 0.8060 0.3359 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1073 0.5076 -1.2817 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8276 1.8603 0.5525 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6571 0.2080 1.3505 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3119 -0.1425 -0.2432 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0556 2.0552 0.4799 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5096 1.7460 -1.9817 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4214 3.4218 -1.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9346 2.5173 -1.6989 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1070 2.5091 2.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5260 3.8837 1.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1039 2.9156 0.6205 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 65 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 14 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 4 30 1 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 31 1 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 6 32 1 0 0 0 0 7 10 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 8 18 1 0 0 0 0 9 11 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 17 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 21 1 0 0 0 0 13 23 1 0 0 0 0 13 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 17 2 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 49 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 22 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 22 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 21 24 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 23 60 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 24 25 1 0 0 0 0 24 63 1 0 0 0 0 24 64 1 0 0 0 0 25 26 1 0 0 0 0 25 66 1 0 0 0 0 25 67 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 68 1 0 0 0 0 27 69 1 0 0 0 0 27 70 1 0 0 0 0 27 71 1 0 0 0 0 28 72 1 0 0 0 0 28 73 1 0 0 0 0 28 74 1 0 0 0 0 M END > DB04540 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HVYWMOMLDIMFJA-DPAQBDIFSA-N/SDF?record_type=3d > [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C > InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1 > HVYWMOMLDIMFJA-DPAQBDIFSA-N > C27H46O > 386.6535 > 386.354866094 > 1 > 74 > 50.641441246997644 > 1 > 1 > 0 > 0 > (1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol > 7.02 > 7.112889030666665 > -7.14 > 0 > 4 > 0 > 18.20428950550382 > -1.3972437702926293 > 20.23 > 120.61649999999993 > 5 > 0 > 2.79e-05 g/l > cholesterol > 1 $$$$