4alpha-formyl-5alpha-cholest-7,24-dien-3beta-ol

Properties Image MNX_ID MNXM10254 reference metacycM:CPD-23714 formula C28H44O2 global charge 0 mol weight 412.658 InChIKey KOEJZCDRYVVSCX-LVSAPHKCSA-N InChI InChI=1S/C28H44O2/c1-18(2)7-6-8-19(3)22-11-12-23-20-9-10-24-21(17-29)26(30)14-16-28(24,5)25(20)13-15-27(22,23)4/h7,9,17,19,21-26,30H,6,8,10-16H2,1-5H3/t19-,21+,22-,23+,24+,25+,26+,27-,28+/m1/s1 SMILES CC(C)=CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C=O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C MNX internals InChI (mnx) InChI=1/C28H44O2/c1-18(2)7-6-8-19(3)22-11-12-23-20-9-10-24-21(17-29)26(30)14-16-28(24,5)25(20)13-15-27(22,23)4/h7,9,17,19,21-26,30H,6,8,10-16H2,1-5H3/t19-,21+,22-,23+,24+,25+,26+,27-,28+/m1/s1 SMILES (mnx) [CH3:1][C:18]([CH3:2])=[CH:7][CH2:6][CH2:8][C@@H:19]([CH3:3])[C@H:22]1[CH2:11][CH2:12][C@H:23]2[C:20]3=[CH:9][CH2:10][C@H:24]4[C@H:21]([CH:17]=[O:29])[C@@H:26]([OH:30])[CH2:14][CH2:16][C@:28]4([CH3:5])[C@H:25]3[CH2:13][CH2:15][C@:27]12[CH3:4]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 6 in models (compartimentalized) 0