1alpha-hydroxy-23-[3-(1-hydroxy-1-methylethyl)phenyl]-22,22,23,23-tetradehydro-24,25,26,27-tetranorvitamin D3

Properties Image MNX_ID MNXM34041 reference chebi:191275 formula C32H42O3 global charge 0 mol weight 474.685 InChIKey XNNCIMFABXVYGU-CHNBMPJASA-N InChI InChI=1S/C32H42O3/c1-21(11-12-23-8-6-10-26(18-23)31(3,4)35)28-15-16-29-24(9-7-17-32(28,29)5)13-14-25-19-27(33)20-30(34)22(25)2/h6,8,10,13-14,18,21,27-30,33-35H,2,7,9,15-17,19-20H2,1,3-5H3/b24-13+,25-14-/t21-,27-,28-,29+,30+,32-/m1/s1 SMILES C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)C#CC4=CC(C(C)(C)O)=CC=C4)CC[C@@H]23)C[C@@H](O)C[C@@H]1O MNX internals InChI (mnx) InChI=1/C32H42O3/c1-21(11-12-23-8-6-10-26(18-23)31(3,4)35)28-15-16-29-24(9-7-17-32(28,29)5)13-14-25-19-27(33)20-30(34)22(25)2/h6,8,10,13-14,18,21,27-30,33-35H,2,7,9,15-17,19-20H2,1,3-5H3/b24-13+,25-14-/t21-,27-,28-,29+,30+,32-/m1/s1 SMILES (mnx) [CH3:1][C@H:21]([C:11]#[C:12][C:23]1=[CH:18][C:26]([C:31]([CH3:3])([CH3:4])[OH:35])=[CH:10][CH:6]=[CH:8]1)[C@H:28]1[CH2:15][CH2:16][C@H:29]2/[C:24](=[CH:13]/[CH:14]=[C:25]3/[CH2:19][C@@H:27]([OH:33])[CH2:20][C@H:30]([OH:34])[C:22]3=[CH2:2])[CH2:9][CH2:7][CH2:17][C@:32]12[CH3:5]

Parent-child relations graph

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