52931314 CDK 1106202311 31 34 0 0 0 0 0 0 0 0999 V2000 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 0 0 0 0 0 0 0 0 0 0 5.8269 -1.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1124 -0.9256 0.0000 C 0 0 0 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 1 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 8.0148 0.2596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3577 -2.9043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 2 0 0 0 0 22 2 1 1 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 16 1 1 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 14 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 12 1 0 0 0 0 7 15 1 0 0 0 0 7 20 1 1 0 0 0 8 13 1 0 0 0 0 8 17 1 0 0 0 0 8 30 1 6 0 0 0 9 10 1 0 0 0 0 11 13 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 12 31 1 6 0 0 0 14 18 1 0 0 0 0 15 21 1 0 0 0 0 17 23 1 0 0 0 0 17 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 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 M END > CHEBI:166810 > 6-Oxocholestanol > 2 > (3S,5S,10R,13R,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one > C27H46O2 > 402.663 > 402.34978 > 0 > O=C1[C@@]2([C@@](C3C(C4[C@@]([C@](CC4)([C@@H](CCCC(C)C)C)[H])(CC3)C)C1)(CC[C@H](O)C2)C)[H] > InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19+,20?,21-,22?,23?,24-,26-,27-/m1/s1 > JQMQKOQOLPGBBE-ACDJNLQYSA-N > LMST01010276 $$$$