(22S)-22-hydroxycampesterol

Properties Image MNX_ID MNXM1371627 reference chebi:72331 formula C28H48O2 global charge 0 mol weight 416.69 InChIKey LSZJAIFORSLKOY-PACUACIMSA-N InChI InChI=1S/C28H48O2/c1-17(2)18(3)15-26(30)19(4)23-9-10-24-22-8-7-20-16-21(29)11-13-27(20,5)25(22)12-14-28(23,24)6/h7,17-19,21-26,29-30H,8-16H2,1-6H3/t18-,19+,21+,22+,23-,24+,25+,26+,27+,28-/m1/s1 SMILES CC(C)[C@H](C)C[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C MNX internals InChI (mnx) InChI=1/C28H48O2/c1-17(2)18(3)15-26(30)19(4)23-9-10-24-22-8-7-20-16-21(29)11-13-27(20,5)25(22)12-14-28(23,24)6/h7,17-19,21-26,29-30H,8-16H2,1-6H3/t18-,19+,21+,22+,23-,24+,25+,26+,27+,28-/m1/s1 SMILES (mnx) [CH3:1][CH:17]([CH3:2])[C@H:18]([CH3:3])[CH2:15][C@@H:26]([C@@H:19]([CH3:4])[C@H:23]1[CH2:9][CH2:10][C@H:24]2[C@@H:22]3[CH2:8][CH:7]=[C:20]4[CH2:16][C@@H:21]([OH:29])[CH2:11][CH2:13][C@:27]4([CH3:5])[C@H:25]3[CH2:12][CH2:14][C@:28]12[CH3:6])[OH:30]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 15 in models (compartimentalized) 2