(7E)-(3S,6S)-6,19-cyclo-9,10-seco-5(10),7-cholestadien-3-ol

Properties Image MNX_ID MNXM29975 reference chebi:173065 formula C27H44O global charge 0 mol weight 384.648 InChIKey XDJIBTPXDQQNLP-ACRGJXSGSA-N InChI InChI=1S/C27H44O/c1-18(2)7-5-8-19(3)25-12-13-26-21(9-6-14-27(25,26)4)16-22-15-20-10-11-23(28)17-24(20)22/h16,18-19,22-23,25-26,28H,5-15,17H2,1-4H3/b21-16+/t19-,22+,23+,25-,26+,27-/m1/s1 SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2/C(=C/[C@@H]3CC4=C3C[C@@H](O)CC4)CCC[C@]12C MNX internals InChI (mnx) InChI=1/C27H44O/c1-18(2)7-5-8-19(3)25-12-13-26-21(9-6-14-27(25,26)4)16-22-15-20-10-11-23(28)17-24(20)22/h16,18-19,22-23,25-26,28H,5-15,17H2,1-4H3/b21-16+/t19-,22+,23+,25-,26+,27-/m1/s1 SMILES (mnx) [CH3:1][CH:18]([CH3:2])[CH2:7][CH2:5][CH2:8][C@@H:19]([CH3:3])[C@H:25]1[CH2:12][CH2:13][C@H:26]2/[C:21](=[CH:16]/[C@@H:22]3[CH2:15][C:20]4=[C:24]3[CH2:17][C@@H:23]([OH:28])[CH2:11][CH2:10]4)[CH2:9][CH2:6][CH2:14][C@:27]12[CH3:4]

Parent-child relations graph

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