C-9,11,21-Trisnor-17-methyl-1alpha,25-dihydroxyvitamin D3

Properties Image MNX_ID MNXM45057 reference chebi:187959 formula C24H42O3 global charge 0 mol weight 378.597 InChIKey FJRQLENTBQARPH-QRDPLHEUSA-N InChI InChI=1S/C24H42O3/c1-22(2,27)12-6-7-13-24(5)14-11-19(23(24,3)4)10-8-9-18-15-20(25)17-21(26)16-18/h8-10,19-21,25-27H,6-7,11-17H2,1-5H3/b10-8+/t19-,20-,21-,24+/m1/s1 SMILES CC(C)(O)CCCC[C@@]1(C)CC[C@@H](/C=C/C=C2C[C@@H](O)C[C@H](O)C2)C1(C)C MNX internals InChI (mnx) InChI=1/C24H42O3/c1-22(2,27)12-6-7-13-24(5)14-11-19(23(24,3)4)10-8-9-18-15-20(25)17-21(26)16-18/h8-10,19-21,25-27H,6-7,11-17H2,1-5H3/b10-8+/t19-,20-,21-,24+/m1/s1 SMILES (mnx) [CH3:1][C:22]([CH3:2])([CH2:12][CH2:6][CH2:7][CH2:13][C@@:24]1([CH3:5])[CH2:14][CH2:11][C@@H:19](/[CH:10]=[CH:8]/[CH:9]=[C:18]2/[CH2:15][C@@H:20]([OH:25])[CH2:17][C@H:21]([OH:26])[CH2:16]2)[C:23]1([CH3:3])[CH3:4])[OH:27]

Parent-child relations graph

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