(22S)-25-hydroxy-22-methoxyvitamin D3

Properties Image MNX_ID MNXM30671 reference lipidmapsM:LMST03020343 formula C28H46O3 global charge 0 mol weight 430.673 InChIKey UREXNLQEIRAOKS-UTPIBJKISA-N InChI InChI=1S/C28H46O3/c1-19-9-12-23(29)18-22(19)11-10-21-8-7-16-28(5)24(13-14-25(21)28)20(2)26(31-6)15-17-27(3,4)30/h10-11,20,23-26,29-30H,1,7-9,12-18H2,2-6H3/b21-10+,22-11-/t20-,23-,24+,25-,26-,28+/m0/s1 SMILES C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)[C@H](CCC(C)(C)O)OC)CC[C@@H]12 MNX internals InChI (mnx) InChI=1/C28H46O3/c1-19-9-12-23(29)18-22(19)11-10-21-8-7-16-28(5)24(13-14-25(21)28)20(2)26(31-6)15-17-27(3,4)30/h10-11,20,23-26,29-30H,1,7-9,12-18H2,2-6H3/b21-10+,22-11-/t20-,23-,24+,25-,26-,28+/m0/s1 SMILES (mnx) [CH2:1]=[C:19]1[CH2:9][CH2:12][C@H:23]([OH:29])[CH2:18]/[C:22]1=[CH:11]/[CH:10]=[C:21]1\[CH2:8][CH2:7][CH2:16][C@:28]2([CH3:5])[C@@H:24]([C@H:20]([CH3:2])[C@H:26]([CH2:15][CH2:17][C:27]([CH3:3])([CH3:4])[OH:30])[O:31][CH3:6])[CH2:13][CH2:14][C@@H:25]12

Parent-child relations graph

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