Marvin 02050717252D 34 37 0 0 1 0 999 V2000 -2.1733 -0.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8959 -0.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8959 -1.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1733 -2.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7587 -2.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4736 -0.8118 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7587 0.3930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0279 0.8130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6718 0.3930 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6718 -0.4151 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4565 -0.6719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9228 -0.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4565 0.6494 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6718 1.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4736 -0.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6718 -1.2469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1796 1.0539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6291 -2.0818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7587 -0.4151 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7587 -1.2405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7421 1.9093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0279 -0.8118 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0279 0.0134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8855 1.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3144 1.4968 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3144 0.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1710 1.9093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4565 1.4968 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0289 1.9093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5999 1.9093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4736 -1.6509 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4736 -2.4759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0279 -1.6509 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6866 -2.0634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10 9 1 0 0 0 0 13 9 1 0 0 0 0 8 9 1 0 0 0 0 9 14 1 1 0 0 0 22 10 1 0 0 0 0 11 10 1 0 0 0 0 10 16 1 6 0 0 0 7 19 1 0 0 0 0 6 19 1 0 0 0 0 22 19 1 0 0 0 0 33 22 1 0 0 0 0 31 6 1 0 0 0 0 6 15 1 1 0 0 0 1 6 1 0 0 0 0 12 13 1 0 0 0 0 28 13 1 0 0 0 0 13 17 1 6 0 0 0 7 8 1 0 0 0 0 12 11 1 0 0 0 0 5 33 1 0 0 0 0 4 31 1 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 3 2 1 0 0 0 0 3 18 2 0 0 0 0 19 20 1 6 0 0 0 28 21 1 6 0 0 0 22 23 1 1 0 0 0 27 24 1 0 0 0 0 30 24 1 0 0 0 0 25 30 1 0 0 0 0 26 25 1 0 0 0 0 29 25 1 0 0 0 0 27 28 1 0 0 0 0 5 31 1 0 0 0 0 31 32 1 1 0 0 0 33 34 1 6 0 0 0 M END > CHEBI:2290 > 7alpha-hydroxy-5beta-cholestan-3-one > A 3-oxo-5β-steroid that is 5β-cholestan-3-one bearing an additional hydroxy substituent at position 7α . > 3 > 7alpha-Hydroxy-5beta-cholestan-3-one; 7-alpha-hydroxy-5-beta-cholestan-3-one; 5beta-Cholestan-7alpha-ol-3-one; 5beta-cholestan-7alpha-ol-3-one > 7alpha-hydroxy-5beta-cholestan-3-one > C27H46O2 > 402.65294 > 402.34978 > 0 > [H][C@]12C[C@@H](O)[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)CCCC(C)C)[C@@]1(C)CCC(=O)C2 > 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/h17-19,21-25,29H,6-16H2,1-5H3/t18-,19+,21-,22+,23+,24-,25+,26+,27-/m1/s1 > HWOOALPDOJHOPO-YREUSXKVSA-N > 3159830 > 3159830 > C05451 > LMST04030112 > CPD-10548 $$$$