11090769 CDK 1106202311 33 36 0 0 0 0 0 0 0 0999 V2000 4.3486 -3.1133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0920 -2.7040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5413 -1.0108 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5413 -0.1858 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8269 -1.4233 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1124 -1.0108 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3616 -1.4290 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3219 0.0656 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3550 -2.2883 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8269 0.2267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1124 -0.1858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3219 -1.2623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8401 -2.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8034 -0.5983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0992 -2.7180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5969 -0.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5413 0.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5832 -2.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5783 0.8498 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3680 -0.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8149 -1.3992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8081 -2.2943 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3855 1.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0273 1.4638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6419 1.8041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4491 1.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7054 2.7584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5126 2.9285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1544 3.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6156 -1.7082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4369 -1.7693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7197 -0.6602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0148 0.1744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9 1 1 6 0 0 0 22 2 1 1 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 12 1 0 0 0 0 3 30 1 6 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 4 17 1 1 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 5 31 1 1 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 32 1 6 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 7 20 1 1 0 0 0 8 14 1 0 0 0 0 8 19 1 0 0 0 0 8 33 1 6 0 0 0 9 15 1 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 16 21 1 0 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 19 24 1 6 0 0 0 21 22 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 M END > CHEBI:166808 > 5alpha-Hydroxycholesterol > 2 > (3S,5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5-diol > C27H48O2 > 404.679 > 404.36543 > 0 > O[C@]12[C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](CCCC(C)C)C)[H])(CC3)C)[H])(CC1)[H])[H])(CC[C@H](O)C2)C > InChI=1S/C27H48O2/c1-18(2)7-6-8-19(3)22-9-10-23-21-12-16-27(29)17-20(28)11-15-26(27,5)24(21)13-14-25(22,23)4/h18-24,28-29H,6-17H2,1-5H3/t19-,20+,21+,22-,23+,24+,25-,26-,27-/m1/s1 > YGJKELZDRWFHOR-POBUXQGNSA-N > LMST01010275 $$$$