(6S)-6,19-epidioxy-6,19-dihydrovitamin D3

Properties Image MNX_ID MNXM31359 reference lipidmapsM:LMST03020249 formula C27H44O3 global charge 0 mol weight 416.646 InChIKey WPWVACZRAWXVOS-QXHKUGGASA-N InChI InChI=1S/C27H44O3/c1-18(2)7-5-8-19(3)24-12-13-25-20(9-6-14-27(24,25)4)15-26-23-16-22(28)11-10-21(23)17-29-30-26/h15,18-19,22,24-26,28H,5-14,16-17H2,1-4H3/b20-15+/t19-,22+,24-,25+,26+,27-/m1/s1 SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2/C(=C/[C@@H]3OOCC4=C3C[C@@H](O)CC4)CCC[C@]12C MNX internals InChI (mnx) InChI=1/C27H44O3/c1-18(2)7-5-8-19(3)24-12-13-25-20(9-6-14-27(24,25)4)15-26-23-16-22(28)11-10-21(23)17-29-30-26/h15,18-19,22,24-26,28H,5-14,16-17H2,1-4H3/b20-15+/t19-,22+,24-,25+,26+,27-/m1/s1 SMILES (mnx) [CH3:1][CH:18]([CH3:2])[CH2:7][CH2:5][CH2:8][C@@H:19]([CH3:3])[C@H:24]1[CH2:12][CH2:13][C@H:25]2/[C:20](=[CH:15]/[C@H:26]3[C:23]4=[C:21]([CH2:10][CH2:11][C@H:22]([OH:28])[CH2:16]4)[CH2:17][O:29][O:30]3)[CH2:9][CH2:6][CH2:14][C@:27]12[CH3:4]

Parent-child relations graph

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