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(20S)-1alpha,25-dihydroxy-20-methoxyvitamin D3 / (20S)-1alpha,25-dihydroxy-20-methoxycholecalciferol

PropertiesImage
MNX_IDMNXM30582 Image of MNXM30582
referencechebi:178541
formulaC28H46O4
global charge0
mol weight446.672
InChIKeyMGEJVJKMMUAOIK-JYUOZGIFSA-N
InChIInChI=1S/C28H46O4/c1-19-21(17-22(29)18-24(19)30)11-10-20-9-7-15-27(4)23(20)12-13-25(27)28(5,32-6)16-8-14-26(2,3)31/h10-11,22-25,29-31H,1,7-9,12-18H2,2-6H3/b20-10+,21-11-/t22-,23+,24+,25+,27+,28+/m1/s1
SMILESC=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@](C)(CCCC(C)(C)O)OC)C[C@@H](O)C[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C28H46O4/c1-19-21(17-22(29)18-24(19)30)11-10-20-9-7-15-27(4)23(20)12-13-25(27)28(5,32-6)16-8-14-26(2,3)31/h10-11,22-25,29-31H,1,7-9,12-18H2,2-6H3/b20-10+,21-11-/t22-,23+,24+,25+,27+,28+/m1/s1 Image of MNXM30582
SMILES (mnx)[CH2:1]=[C:19]1/[C:21](=[CH:11]\[CH:10]=[C:20]2/[CH2:9][CH2:7][CH2:15][C@@:27]3([CH3:4])[C@H:23]2[CH2:12][CH2:13][C@@H:25]3[C@:28]([CH3:5])([CH2:16][CH2:8][CH2:14][C:26]([CH3:2])([CH3:3])[OH:31])[O:32][CH3:6])[CH2:17][C@@H:22]([OH:29])[CH2:18][C@@H:24]1[OH:30]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:178541
chebi:178541
MGEJVJKMMUAOIK-JYUOZGIFSA-N 		(20S)-1alpha,25-dihydroxy-20-methoxyvitamin D3 / (20S)-1alpha,25-dihydroxy-20-methoxycholecalciferol
(1R,3S,5Z)-5-[(2E)-2-[(1S,3aS,7aS)-1-[(2S)-6-hydroxy-2-methoxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

lipidmaps:LMST03020380
lipidmapsM:LMST03020380
MGEJVJKMMUAOIK-JYUOZGIFSA-N 		(20S)-1alpha,25-dihydroxy-20-methoxyvitamin D3
(20S)-1alpha,25-dihydroxy-20-methoxycholecalciferol
(5Z,7E)-(1S,3R,20S)-20-methoxy-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol