159461 CDK 1106202311 34 37 0 0 0 0 0 0 0 0999 V2000 4.3486 -3.0280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1024 -3.4577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0920 -2.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5413 -0.1006 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5413 -0.9256 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8269 -1.3381 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1124 -0.9256 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3616 -1.3437 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3219 0.1508 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8269 0.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1124 -0.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3219 -1.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3550 -2.2030 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8034 -0.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8401 -2.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5969 -0.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5413 0.7244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5783 0.9351 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0992 -2.6328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5832 -2.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3680 -0.5188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8149 -1.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8081 -2.2090 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3855 1.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0273 1.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6419 1.8893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4491 2.0595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7054 2.8436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5126 3.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1544 3.4577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6156 -1.6229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4369 -1.6840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7197 -0.5749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0148 0.2596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13 1 1 6 0 0 0 2 19 2 0 0 0 0 23 3 1 1 0 0 0 4 5 1 0 0 0 0 4 9 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 6 0 0 0 6 7 1 0 0 0 0 6 15 1 0 0 0 0 6 32 1 1 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 33 1 6 0 0 0 8 13 1 0 0 0 0 8 16 1 0 0 0 0 8 21 1 1 0 0 0 9 14 1 0 0 0 0 9 18 1 0 0 0 0 9 34 1 6 0 0 0 10 11 1 0 0 0 0 12 14 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 15 19 1 0 0 0 0 16 22 1 0 0 0 0 18 24 1 0 0 0 0 18 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 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 M END > CHEBI:166811 > Cholestan-6-oxo-3,5-diol > 2 > (3S,5R,8S,9S,10R,13R,14S,17R)-3,5-dihydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-one > C27H46O3 > 418.662 > 418.34470 > 0 > O[C@]12[C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](CCCC(C)C)C)[H])(CC3)C)[H])(CC1=O)[H])[H])(CC[C@H](O)C2)C > InChI=1S/C27H46O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-23,28,30H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,25-,26-,27+/m1/s1 > SJZZRXMQSAXCFD-ZCBMJONGSA-N > 13027-33-3 > 13027-33-3 $$$$