25,26-epoxy-1alpha-hydroxy-23,23,24,24-tetradehydrovitamin D3

Properties Image MNX_ID MNXM35679 reference lipidmapsM:LMST03020094 formula C27H38O3 global charge 0 mol weight 410.598 InChIKey RPCZXHGKTBPWFO-QRMWMMICSA-N InChI InChI=1S/C27H38O3/c1-18(7-5-13-26(3)17-30-26)23-11-12-24-20(8-6-14-27(23,24)4)9-10-21-15-22(28)16-25(29)19(21)2/h9-10,18,22-25,28-29H,2,6-8,11-12,14-17H2,1,3-4H3/b20-9+,21-10-/t18-,22-,23-,24+,25+,26?,27-/m1/s1 SMILES C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CC#CC4(C)CO4)CC[C@@H]23)C[C@@H](O)C[C@@H]1O MNX internals InChI (mnx) InChI=1/C27H38O3/c1-18(7-5-13-26(3)17-30-26)23-11-12-24-20(8-6-14-27(23,24)4)9-10-21-15-22(28)16-25(29)19(21)2/h9-10,18,22-25,28-29H,2,6-8,11-12,14-17H2,1,3-4H3/b20-9+,21-10-/t18-,22-,23-,24+,25+,26?,27-/m1/s1 SMILES (mnx) [CH3:1][C@H:18]([CH2:7][C:5]#[C:13][C:26]1([CH3:3])[CH2:17][O:30]1)[C@H:23]1[CH2:11][CH2:12][C@H:24]2/[C:20](=[CH:9]/[CH:10]=[C:21]3/[CH2:15][C@@H:22]([OH:28])[CH2:16][C@H:25]([OH:29])[C:19]3=[CH2:2])[CH2:8][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