23,24-dimethylcholest-16(17)-E-en-3beta,5alpha,6beta,20(S)-tetrol

Properties Image MNX_ID MNXM108710 reference chebi:66175 formula C29H50O4 global charge 0 mol weight 462.715 InChIKey FSVRNTKWAJDYID-RVFKALSBSA-N InChI InChI=1S/C29H50O4/c1-17(2)19(4)18(3)15-28(7,32)24-9-8-22-21-14-25(31)29(33)16-20(30)10-13-27(29,6)23(21)11-12-26(22,24)5/h9,17-23,25,30-33H,8,10-16H2,1-7H3/t18?,19?,20-,21-,22-,23-,25+,26-,27+,28-,29-/m0/s1 SMILES CC(C)C(C)C(C)C[C@](C)(O)C1=CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C MNX internals InChI (mnx) InChI=1/C29H50O4/c1-17(2)19(4)18(3)15-28(7,32)24-9-8-22-21-14-25(31)29(33)16-20(30)10-13-27(29,6)23(21)11-12-26(22,24)5/h9,17-23,25,30-33H,8,10-16H2,1-7H3/t18?,19?,20-,21-,22-,23-,25+,26-,27+,28-,29-/m0/s1 SMILES (mnx) [CH3:1][CH:17]([CH3:2])[CH:19]([CH3:4])[CH:18]([CH3:3])[CH2:15][C@@:28]([CH3:7])([C:24]1=[CH:9][CH2:8][C@H:22]2[C@@H:21]3[CH2:14][C@@H:25]([OH:31])[C@@:29]4([OH:33])[CH2:16][C@@H:20]([OH:30])[CH2:10][CH2:13][C@:27]4([CH3:6])[C@H:23]3[CH2:11][CH2:12][C@@:26]21[CH3:5])[OH:32]

Parent-child relations graph

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