3beta,4beta-dihydroxycholest-8(9)-en-23-one

Properties Image MNX_ID MNXM1131832 reference lipidmapsM:LMST01010446 formula C27H44O3 global charge 0 mol weight 416.646 InChIKey AALOHBFIUQFXDI-WDGFOIEYSA-N InChI InChI=1S/C27H44O3/c1-16(2)14-18(28)15-17(3)20-8-9-21-19-6-7-23-25(30)24(29)11-13-27(23,5)22(19)10-12-26(20,21)4/h16-17,20-21,23-25,29-30H,6-15H2,1-5H3/t17-,20-,21+,23+,24+,25-,26-,27-/m1/s1 SMILES CC(C)CC(=O)C[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@H](O)[C@@H]1CC3 MNX internals InChI (mnx) InChI=1/C27H44O3/c1-16(2)14-18(28)15-17(3)20-8-9-21-19-6-7-23-25(30)24(29)11-13-27(23,5)22(19)10-12-26(20,21)4/h16-17,20-21,23-25,29-30H,6-15H2,1-5H3/t17-,20-,21+,23+,24+,25-,26-,27-/m1/s1 SMILES (mnx) [CH3:1][CH:16]([CH3:2])[CH2:14][C:18]([CH2:15][C@@H:17]([CH3:3])[C@H:20]1[CH2:8][CH2:9][C@H:21]2[C:19]3=[C:22]([CH2:10][CH2:12][C@:26]12[CH3:4])[C@@:27]1([CH3:5])[CH2:13][CH2:11][C@H:24]([OH:29])[C@H:25]([OH:30])[C@@H:23]1[CH2:7][CH2:6]3)=[O:28]

Parent-child relations graph

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