9alpha,11alpha-epoxycholest-7-en-3beta,5alpha,6beta-triol

Properties Image MNX_ID MNXM28614 reference lipidmapsM:LMST01010318 formula C27H44O4 global charge 0 mol weight 432.645 InChIKey HJWIFUYWCCWKOA-QGRYAOFKSA-N InChI InChI=1S/C27H44O4/c1-16(2)7-6-8-17(3)19-9-10-20-21-13-22(29)26(30)14-18(28)11-12-25(26,5)27(21)23(31-27)15-24(19,20)4/h13,16-20,22-23,28-30H,6-12,14-15H2,1-5H3/t17-,18+,19-,20+,22-,23-,24-,25+,26+,27+/m1/s1 SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@]34O[C@@H]4C[C@]12C MNX internals InChI (mnx) InChI=1/C27H44O4/c1-16(2)7-6-8-17(3)19-9-10-20-21-13-22(29)26(30)14-18(28)11-12-25(26,5)27(21)23(31-27)15-24(19,20)4/h13,16-20,22-23,28-30H,6-12,14-15H2,1-5H3/t17-,18+,19-,20+,22-,23-,24-,25+,26+,27+/m1/s1 SMILES (mnx) [CH3:1][CH:16]([CH3:2])[CH2:7][CH2:6][CH2:8][C@@H:17]([CH3:3])[C@H:19]1[CH2:9][CH2:10][C@H:20]2[C:21]3=[CH:13][C@@H:22]([OH:29])[C@@:26]4([OH:30])[CH2:14][C@@H:18]([OH:28])[CH2:11][CH2:12][C@:25]4([CH3:5])[C@@:27]34[C@@H:23]([CH2:15][C@:24]12[CH3:4])[O:31]4

Parent-child relations graph

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