5beta-Cholestane-3alpha,12alpha-diol

Properties Image MNX_ID MNXM29081 reference chebi:186612 formula C27H48O2 global charge 0 mol weight 404.679 InChIKey XXGBPWONQCELLQ-QLSUIZBQSA-N InChI InChI=1S/C27H48O2/c1-17(2)7-6-8-18(3)22-11-12-23-21-10-9-19-15-20(28)13-14-26(19,4)24(21)16-25(29)27(22,23)5/h17-25,28-29H,6-16H2,1-5H3/t18-,19-,20-,21+,22-,23+,24+,25+,26+,27-/m1/s1 SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C MNX internals InChI (mnx) InChI=1/C27H48O2/c1-17(2)7-6-8-18(3)22-11-12-23-21-10-9-19-15-20(28)13-14-26(19,4)24(21)16-25(29)27(22,23)5/h17-25,28-29H,6-16H2,1-5H3/t18-,19-,20-,21+,22-,23+,24+,25+,26+,27-/m1/s1 SMILES (mnx) [CH3:1][CH:17]([CH3:2])[CH2:7][CH2:6][CH2:8][C@@H:18]([CH3:3])[C@H:22]1[CH2:11][CH2:12][C@H:23]2[C@@H:21]3[CH2:10][CH2:9][C@@H:19]4[CH2:15][C@H:20]([OH:28])[CH2:13][CH2:14][C@:26]4([CH3:4])[C@H:24]3[CH2:16][C@H:25]([OH:29])[C@:27]12[CH3:5]

Parent-child relations graph

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