4,4-dimethyl-14alpha-formyl-5alpha-cholesta-8,24-dien-3beta,15alpha-diol

Properties Image MNX_ID MNXM37115 reference chebi:144025 formula C30H48O3 global charge 0 mol weight 456.711 InChIKey SFAFFKXDWJHUSZ-SSORVZQWSA-N InChI InChI=1S/C30H48O3/c1-19(2)9-8-10-20(3)23-17-26(33)30(18-31)22-11-12-24-27(4,5)25(32)14-15-28(24,6)21(22)13-16-29(23,30)7/h9,18,20,23-26,32-33H,8,10-17H2,1-7H3/t20-,23-,24+,25+,26+,28-,29-,30-/m1/s1 SMILES CC(C)=CCC[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C=O)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 MNX internals InChI (mnx) InChI=1/C30H48O3/c1-19(2)9-8-10-20(3)23-17-26(33)30(18-31)22-11-12-24-27(4,5)25(32)14-15-28(24,6)21(22)13-16-29(23,30)7/h9,18,20,23-26,32-33H,8,10-17H2,1-7H3/t20-,23-,24+,25+,26+,28-,29-,30-/m1/s1 SMILES (mnx) [CH3:1][C:19]([CH3:2])=[CH:9][CH2:8][CH2:10][C@@H:20]([CH3:3])[C@H:23]1[CH2:17][C@H:26]([OH:33])[C@@:30]2([CH:18]=[O:31])[C:22]3=[C:21]([CH2:13][CH2:16][C@:29]12[CH3:7])[C@@:28]1([CH3:6])[CH2:15][CH2:14][C@H:25]([OH:32])[C:27]([CH3:4])([CH3:5])[C@@H:24]1[CH2:12][CH2:11]3

Parent-child relations graph

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