(24S)-7alpha,12alpha,24-trihydroxy-5beta-cholestan-3-one

Properties Image MNX_ID MNXM30754 reference chebi:63830 formula C27H46O4 global charge 0 mol weight 434.661 InChIKey OESDJUYDQFBVDE-ZFUXDIRQSA-N InChI InChI=1S/C27H46O4/c1-15(2)22(29)9-6-16(3)19-7-8-20-25-21(14-24(31)27(19,20)5)26(4)11-10-18(28)12-17(26)13-23(25)30/h15-17,19-25,29-31H,6-14H2,1-5H3/t16-,17+,19-,20+,21+,22+,23-,24+,25+,26+,27-/m1/s1 SMILES CC(C)[C@@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C MNX internals InChI (mnx) InChI=1/C27H46O4/c1-15(2)22(29)9-6-16(3)19-7-8-20-25-21(14-24(31)27(19,20)5)26(4)11-10-18(28)12-17(26)13-23(25)30/h15-17,19-25,29-31H,6-14H2,1-5H3/t16-,17+,19-,20+,21+,22+,23-,24+,25+,26+,27-/m1/s1 SMILES (mnx) [CH3:1][CH:15]([CH3:2])[C@H:22]([CH2:9][CH2:6][C@@H:16]([CH3:3])[C@H:19]1[CH2:7][CH2:8][C@H:20]2[C@H:25]3[C@H:21]([CH2:14][C@H:24]([OH:31])[C@:27]12[CH3:5])[C@@:26]1([CH3:4])[CH2:11][CH2:10][C:18](=[O:28])[CH2:12][C@H:17]1[CH2:13][C@H:23]3[OH:30])[OH:29]

Parent-child relations graph

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