19-Nor-14-epi-23-yne-1,25 dihydroxyvitamin D3

Properties Image MNX_ID MNXM33818 reference lipidmapsM:LMST03020649 formula C26H40O3 global charge 0 mol weight 400.603 InChIKey HHGRMHMXKPQNGF-WNSNRMDMSA-N InChI InChI=1S/C26H40O3/c1-18(7-5-13-25(2,3)29)23-11-12-24-20(8-6-14-26(23,24)4)10-9-19-15-21(27)17-22(28)16-19/h9-10,18,21-24,27-29H,6-8,11-12,14-17H2,1-4H3/b20-10+/t18-,21-,22-,23-,24-,26-/m1/s1 SMILES C[C@H](CC#CC(C)(C)O)[C@H]1CC[C@@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@@]21C MNX internals InChI (mnx) InChI=1/C26H40O3/c1-18(7-5-13-25(2,3)29)23-11-12-24-20(8-6-14-26(23,24)4)10-9-19-15-21(27)17-22(28)16-19/h9-10,18,21-24,27-29H,6-8,11-12,14-17H2,1-4H3/b20-10+/t18-,21-,22-,23-,24-,26-/m1/s1 SMILES (mnx) [CH3:1][C@H:18]([CH2:7][C:5]#[C:13][C:25]([CH3:2])([CH3:3])[OH:29])[C@H:23]1[CH2:11][CH2:12][C@@H:24]2/[C:20](=[CH:10]/[CH:9]=[C:19]3\[CH2:15][C@@H:21]([OH:27])[CH2:17][C@H:22]([OH:28])[CH2:16]3)[CH2:8][CH2:6][CH2:14][C@:26]12[CH3:4]

Parent-child relations graph

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