5284272 CDK 1209211503 34 37 0 0 0 0 0 0 0 0999 V2000 6.5593 -2.7739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0920 -2.7911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5413 -1.0979 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5413 -0.2729 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8269 -1.5104 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1124 -1.0979 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3616 -1.5160 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3219 -0.0215 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3550 -2.3754 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8269 0.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1124 -0.2729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8401 -2.3697 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3219 -1.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8034 -0.6854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0992 -2.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5969 -1.0507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5413 0.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5783 0.7626 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5832 -2.8289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3680 -0.6911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8149 -1.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8081 -2.3814 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3855 0.9328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0273 1.3768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6419 1.7170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4491 1.8871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7054 2.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5126 2.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1544 3.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6156 -1.7952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4369 -1.8563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7197 -0.7473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0148 0.0873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3577 -3.0766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 6 0 0 0 22 2 1 6 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 13 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 12 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 18 1 0 0 0 0 8 33 1 6 0 0 0 9 15 1 0 0 0 0 9 19 1 0 0 0 0 9 34 1 1 0 0 0 10 11 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 16 21 1 0 0 0 0 18 23 1 0 0 0 0 18 24 1 6 0 0 0 19 22 1 0 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 2 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 M END > CHEBI:187969 > 5beta-cholest-24-ene-3alpha,7alpha-diol > 2 > (3R,5S,7R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol > C27H46O2 > 402.663 > 402.34978 > 0 > O[C@H]1[C@]2([C@]3([C@@]([C@](CC3)([C@@H](CCC=C(C)C)C)[H])(CC[C@@]2([C@@]4([C@](C1)(C[C@H](O)CC4)[H])C)[H])C)[H])[H] > InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h7,18-25,28-29H,6,8-16H2,1-5H3/t18-,19+,20-,21-,22+,23+,24-,25+,26+,27-/m1/s1 > DVOUHDSKUHUBQI-TVRYRFOISA-N > LMST04030115 $$$$