5alpha,9alpha-epidioxy-8,14alpha-epoxy-cholest-6-en-3beta-ol

Properties Image MNX_ID MNXM26312 reference chebi:178594 formula C27H42O4 global charge 0 mol weight 430.629 InChIKey QFGKEMFICOJHFF-NMURLUPSSA-N InChI InChI=1S/C27H42O4/c1-18(2)7-6-8-19(3)21-10-12-25-22(21,4)13-15-26-23(5)11-9-20(28)17-24(23,30-31-26)14-16-27(25,26)29-25/h14,16,18-21,28H,6-13,15,17H2,1-5H3/t19-,20+,21-,22-,23+,24-,25+,26+,27+/m1/s1 SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@@]23O[C@@]24C=C[C@@]25C[C@@H](O)CC[C@]2(C)[C@]4(CC[C@]13C)OO5 MNX internals InChI (mnx) InChI=1/C27H42O4/c1-18(2)7-6-8-19(3)21-10-12-25-22(21,4)13-15-26-23(5)11-9-20(28)17-24(23,30-31-26)14-16-27(25,26)29-25/h14,16,18-21,28H,6-13,15,17H2,1-5H3/t19-,20+,21-,22-,23+,24-,25+,26+,27+/m1/s1 SMILES (mnx) [CH3:1][CH:18]([CH3:2])[CH2:7][CH2:6][CH2:8][C@@H:19]([CH3:3])[C@H:21]1[CH2:10][CH2:12][C@:25]23[C@:22]1([CH3:4])[CH2:13][CH2:15][C@:26]14[C@@:23]5([CH3:5])[CH2:11][CH2:9][C@H:20]([OH:28])[CH2:17][C@@:24]5([CH:14]=[CH:16][C@:27]21[O:29]3)[O:30][O:31]4

Parent-child relations graph

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