(20R)-24-Hydroxy-19-norgeminivitamin D3

Properties Image MNX_ID MNXM30564 reference chebi:188016 formula C31H54O5 global charge 0 mol weight 506.768 InChIKey DPFVGAAKUUYVQT-CNYUWUMVSA-N InChI InChI=1S/C31H54O5/c1-29(2,35)16-6-8-23(12-15-28(34)30(3,4)36)27-14-13-26-22(9-7-17-31(26,27)5)11-10-21-18-24(32)20-25(33)19-21/h10-11,23-28,32-36H,6-9,12-20H2,1-5H3/b22-11+/t23-,24-,25-,26+,27-,28-,31+/m1/s1 SMILES CC(C)(O)CCC[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C MNX internals InChI (mnx) InChI=1/C31H54O5/c1-29(2,35)16-6-8-23(12-15-28(34)30(3,4)36)27-14-13-26-22(9-7-17-31(26,27)5)11-10-21-18-24(32)20-25(33)19-21/h10-11,23-28,32-36H,6-9,12-20H2,1-5H3/b22-11+/t23-,24-,25-,26+,27-,28-,31+/m1/s1 SMILES (mnx) [CH3:1][C:29]([CH3:2])([CH2:16][CH2:6][CH2:8][C@H:23]([CH2:12][CH2:15][C@H:28]([C:30]([CH3:3])([CH3:4])[OH:36])[OH:34])[C@H:27]1[CH2:14][CH2:13][C@H:26]2/[C:22](=[CH:11]/[CH:10]=[C:21]3\[CH2:18][C@@H:24]([OH:32])[CH2:20][C@H:25]([OH:33])[CH2:19]3)[CH2:9][CH2:7][CH2:17][C@@:31]21[CH3:5])[OH:35]

Parent-child relations graph

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