(22S)-22-hydroxycholestanol

Properties Image MNX_ID MNXM13510 reference metacycM:CPD-7192 formula C27H48O2 global charge 0 mol weight 404.679 InChIKey IPYACDRNRIVGLI-DNFOGROMSA-N InChI InChI=1S/C27H48O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h17-25,28-29H,6-16H2,1-5H3/t18-,19-,20+,21-,22+,23-,24-,25-,26-,27+/m0/s1 SMILES CC(C)CC[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C MNX internals InChI (mnx) InChI=1/C27H48O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h17-25,28-29H,6-16H2,1-5H3/t18-,19-,20+,21-,22+,23-,24-,25-,26-,27+/m0/s1 SMILES (mnx) [CH3:1][CH:17]([CH3:2])[CH2:6][CH2:11][C@@H:25]([C@@H:18]([CH3:3])[C@H:22]1[CH2:9][CH2:10][C@H:23]2[C@@H:21]3[CH2:8][CH2:7][C@H:19]4[CH2:16][C@H:20]([OH:28])[CH2:12][CH2:14][C@:26]4([CH3:4])[C@H:24]3[CH2:13][CH2:15][C@:27]12[CH3:5])[OH:29]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0