3alpha,7alpha,12alpha,25-tetrahydroxy-5beta-cholestane-24-one

Properties Image MNX_ID MNXM729385 reference biggM:CE1274 formula C27H46O5 global charge 0 mol weight 450.66 InChIKey CFVCOEMVLNMDAX-FHKVEWMTSA-N InChI InChI=1S/C27H46O5/c1-15(6-9-22(30)25(2,3)32)18-7-8-19-24-20(14-23(31)27(18,19)5)26(4)11-10-17(28)12-16(26)13-21(24)29/h15-21,23-24,28-29,31-32H,6-14H2,1-5H3/t15?,16?,17?,18-,19?,20?,21?,23?,24?,26+,27-/m1/s1 SMILES CC(CCC(=O)C(C)(C)O)[C@H]1CCC2C3C(O)CC4CC(O)CC[C@]4(C)C3CC(O)[C@@]21C MNX internals InChI (mnx) InChI=1/C27H46O5/c1-15(6-9-22(30)25(2,3)32)18-7-8-19-24-20(14-23(31)27(18,19)5)26(4)11-10-17(28)12-16(26)13-21(24)29/h15-21,23-24,28-29,31-32H,6-14H2,1-5H3/t15?,16?,17?,18-,19?,20?,21?,23?,24?,26+,27-/m1/s1 SMILES (mnx) [CH3:1][CH:15]([CH2:6][CH2:9][C:22]([C:25]([CH3:2])([CH3:3])[OH:32])=[O:30])[C@H:18]1[CH2:7][CH2:8][CH:19]2[CH:24]3[CH:20]([CH2:14][CH:23]([OH:31])[C@:27]12[CH3:5])[C@@:26]1([CH3:4])[CH2:11][CH2:10][CH:17]([OH:28])[CH2:12][CH:16]1[CH2:13][CH:21]3[OH:29]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 2