Marvin 02060711222D 35 38 0 0 1 0 999 V2000 -1.7029 0.2165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4173 -0.1960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7029 -1.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9884 -1.0210 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2739 -1.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9884 -0.1960 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2739 1.0415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9396 -0.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4246 0.6290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9884 0.6290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9884 -1.8460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2739 0.2165 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2739 -0.6085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4405 -0.1960 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4405 0.6290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1550 0.2165 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1550 1.0415 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1550 1.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1550 -0.6085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3686 2.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6541 2.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7976 2.1214 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7976 1.2964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5120 2.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2251 2.7013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9396 2.1214 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0830 2.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9396 1.2964 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6541 1.7089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4173 -1.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1318 -1.4335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4405 -1.0210 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1550 -1.4335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4405 1.4540 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4405 2.1953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16 17 1 0 0 0 0 17 28 1 0 0 0 0 17 34 1 0 0 0 0 16 14 1 0 0 0 0 16 8 1 0 0 0 0 12 7 1 0 0 0 0 12 6 1 0 0 0 0 14 12 1 0 0 0 0 14 32 1 0 0 0 0 6 4 1 0 0 0 0 6 10 1 1 0 0 0 6 1 1 0 0 0 0 9 28 1 0 0 0 0 7 34 1 0 0 0 0 9 8 1 0 0 0 0 5 32 1 0 0 0 0 4 3 1 0 0 0 0 4 5 1 0 0 0 0 2 1 1 0 0 0 0 30 3 1 0 0 0 0 30 2 1 0 0 0 0 4 11 1 1 0 0 0 12 13 1 6 0 0 0 14 15 1 1 0 0 0 16 19 1 6 0 0 0 17 18 1 1 0 0 0 20 21 1 0 0 0 0 20 27 1 0 0 0 0 21 26 1 0 0 0 0 26 28 1 0 0 0 0 22 27 1 0 0 0 0 24 22 1 0 0 0 0 22 23 1 0 0 0 0 26 25 1 6 0 0 0 28 29 1 6 0 0 0 30 31 2 0 0 0 0 32 33 1 6 0 0 0 34 35 1 6 0 0 0 M END > CHEBI:2288 > 7alpha,12alpha-dihydroxy-5beta-cholestan-3-one > A 3-oxo-5β-steroid that is 5β-cholestan-3-one bearing two additional hydroxy substituents at positions 7α and 12α. > 3 > 7alpha,12alpha-Dihydroxy-5beta-cholestan-3-one; 7-alpha,12-alpha-dihydroxy-5-beta-cholestan-3-one; 5beta-Cholesten-7alpha,12alpha-diol-3-one; 5beta-cholestane-7alpha,12alpha-diol-3-one > 7alpha,12alpha-dihydroxy-5beta-cholestan-3-one > C27H46O3 > 418.65234 > 418.34470 > 0 > [H][C@]12C[C@@H](O)[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]4(C)[C@@H](O)C[C@]3([H])[C@@]1(C)CCC(=O)C2 > InChI=1S/C27H46O3/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h16-18,20-25,29-30H,6-15H2,1-5H3/t17-,18+,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1 > HHVQPBXBALLUDF-QORHGLQKSA-N > 3163548 > 3163548 > C05453 > LMST04030113 > CPD-10503 $$$$