(22E,24E,24bE)-1alpha,25-dihydroxy-22,23,24,24a,24b,24c-hexadehydro-24a,24b,24c-trihomovitamin D3

Properties Image MNX_ID MNXM30630 reference lipidmapsM:LMST03020447 formula C30H44O3 global charge 0 mol weight 452.679 InChIKey VSOSOBFMILCSMS-GGPVBBGFSA-N InChI InChI=1S/C30H44O3/c1-21(11-8-6-7-9-17-29(3,4)33)26-15-16-27-23(12-10-18-30(26,27)5)13-14-24-19-25(31)20-28(32)22(24)2/h6-9,11,13-14,17,21,25-28,31-33H,2,10,12,15-16,18-20H2,1,3-5H3/b7-6+,11-8+,17-9+,23-13+,24-14-/t21-,25-,26-,27+,28+,30-/m1/s1 SMILES C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)/C=C/C=C/C=C/C(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O MNX internals InChI (mnx) InChI=1/C30H44O3/c1-21(11-8-6-7-9-17-29(3,4)33)26-15-16-27-23(12-10-18-30(26,27)5)13-14-24-19-25(31)20-28(32)22(24)2/h6-9,11,13-14,17,21,25-28,31-33H,2,10,12,15-16,18-20H2,1,3-5H3/b7-6+,11-8+,17-9+,23-13+,24-14-/t21-,25-,26-,27+,28+,30-/m1/s1 SMILES (mnx) [CH3:1][C@H:21](/[CH:11]=[CH:8]/[CH:6]=[CH:7]/[CH:9]=[CH:17]/[C:29]([CH3:3])([CH3:4])[OH:33])[C@H:26]1[CH2:15][CH2:16][C@H:27]2/[C:23](=[CH:13]/[CH:14]=[C:24]3/[CH2:19][C@@H:25]([OH:31])[CH2:20][C@H:28]([OH:32])[C:22]3=[CH2:2])[CH2:12][CH2:10][CH2:18][C@:30]12[CH3:5]

Parent-child relations graph

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