26,27-diethyl-1alpha,25-dihydroxy-23-oxavitamin D3

Properties Image MNX_ID MNXM35753 reference lipidmapsM:LMST03020471 formula C30H50O4 global charge 0 mol weight 474.726 InChIKey WDNSHUJBPRMQJE-WDTLKCQNSA-N InChI InChI=1S/C30H50O4/c1-6-14-30(33,15-7-2)20-34-19-21(3)26-12-13-27-23(9-8-16-29(26,27)5)10-11-24-17-25(31)18-28(32)22(24)4/h10-11,21,25-28,31-33H,4,6-9,12-20H2,1-3,5H3/b23-10+,24-11-/t21-,25-,26-,27+,28+,29-/m1/s1 SMILES C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)COCC(O)(CCC)CCC)CC[C@@H]23)C[C@@H](O)C[C@@H]1O MNX internals InChI (mnx) InChI=1/C30H50O4/c1-6-14-30(33,15-7-2)20-34-19-21(3)26-12-13-27-23(9-8-16-29(26,27)5)10-11-24-17-25(31)18-28(32)22(24)4/h10-11,21,25-28,31-33H,4,6-9,12-20H2,1-3,5H3/b23-10+,24-11-/t21-,25-,26-,27+,28+,29-/m1/s1 SMILES (mnx) [CH3:1][CH2:6][CH2:14][C:30]([CH2:15][CH2:7][CH3:2])([CH2:20][O:34][CH2:19][C@@H:21]([CH3:3])[C@H:26]1[CH2:12][CH2:13][C@H:27]2/[C:23](=[CH:10]/[CH:11]=[C:24]3/[CH2:17][C@@H:25]([OH:31])[CH2:18][C@H:28]([OH:32])[C:22]3=[CH2:4])[CH2:9][CH2:8][CH2:16][C@:29]12[CH3:5])[OH:33]

Parent-child relations graph

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