5284304 CDK 1203211124 31 34 0 0 0 0 0 0 0 0999 V2000 6.5592 -2.3178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0920 -2.3351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4491 2.3432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5413 -0.6419 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5413 0.1831 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8268 -1.0544 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1124 -0.6419 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3616 -1.0600 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3219 0.4345 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3549 -1.9194 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8268 0.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1124 0.1831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8401 -1.9137 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3219 -0.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8033 -0.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0992 -2.3490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5969 -0.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5413 1.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5782 1.2187 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5832 -2.3729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3680 -0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8149 -1.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8081 -1.9253 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3855 1.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0273 1.8327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6418 2.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6155 -1.3392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4368 -1.4004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 -0.2913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0147 0.5433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3577 -2.6206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13 1 1 6 0 0 0 23 2 1 6 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 4 27 1 6 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 5 18 1 1 0 0 0 6 7 1 0 0 0 0 6 13 1 0 0 0 0 6 28 1 1 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 7 29 1 6 0 0 0 8 10 1 0 0 0 0 8 17 1 0 0 0 0 8 21 1 1 0 0 0 9 15 1 0 0 0 0 9 19 1 0 0 0 0 9 30 1 6 0 0 0 10 16 1 0 0 0 0 10 20 1 0 0 0 0 10 31 1 1 0 0 0 11 12 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 17 22 1 0 0 0 0 19 24 1 0 0 0 0 19 25 1 6 0 0 0 20 23 1 0 0 0 0 22 23 1 0 0 0 0 24 26 1 0 0 0 0 M END > CHEBI:187219 > 24-Nor-5beta-cholane-3alpha,7alpha,23-triol > 2 > (3R,5S,7R,8R,9S,10S,13R,14S,17R)-17-[(2R)-4-hydroxybutan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol > C23H40O3 > 364.570 > 364.29775 > 0 > O[C@H]1[C@]2([C@]3([C@@]([C@](CC3)([C@@H](CCO)C)[H])(CC[C@@]2([C@@]4([C@](C1)(C[C@H](O)CC4)[H])C)[H])C)[H])[H] > InChI=1S/C23H40O3/c1-14(8-11-24)17-4-5-18-21-19(7-10-23(17,18)3)22(2)9-6-16(25)12-15(22)13-20(21)26/h14-21,24-26H,4-13H2,1-3H3/t14-,15+,16-,17-,18+,19+,20-,21+,22+,23-/m1/s1 > AQLBTYPFUGRFQI-VEPRGJRUSA-N > LMST04060009 $$$$