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1alpha,25-Dihydroxy-2-[3'-(methoxymethoxy)propylidene]-19-norvitamin D3

PropertiesImage
MNX_IDMNXM33897 Image of MNXM33897
referencechebi:187966
formulaC31H52O5
global charge0
mol weight504.752
InChIKeyIWGVBEGLKWWMLK-VKCIEZSMSA-N
InChIInChI=1S/C31H52O5/c1-22(9-6-16-30(2,3)34)26-14-15-27-24(10-7-17-31(26,27)4)13-12-23-19-28(32)25(29(33)20-23)11-8-18-36-21-35-5/h11-13,22,26-29,32-34H,6-10,14-21H2,1-5H3/b23-12-,24-13+,25-11+/t22-,26-,27+,28-,29-,31-/m1/s1
SMILESCOCOCCC=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@H]1O
MNX internals
InChI (mnx)InChI=1/C31H52O5/c1-22(9-6-16-30(2,3)34)26-14-15-27-24(10-7-17-31(26,27)4)13-12-23-19-28(32)25(29(33)20-23)11-8-18-36-21-35-5/h11-13,22,26-29,32-34H,6-10,14-21H2,1-5H3/b23-12-,24-13+,25-11?/t22-,26-,27+,28-,29-,31-/m1/s1 Image of MNXM33897
SMILES (mnx)[CH3:1][C@H:22]([CH2:9][CH2:6][CH2:16][C:30]([CH3:2])([CH3:3])[OH:34])[C@H:26]1[CH2:14][CH2:15][C@H:27]2/[C:24](=[CH:13]/[CH:12]=[C:23]3/[CH2:19][C@H:28]([OH:32])[C:25](=[CH:11][CH2:8][CH2:18][O:36][CH2:21][O:35][CH3:5])[C@@H:29]([OH:33])[CH2:20]3)[CH2:10][CH2:7][CH2:17][C@:31]12[CH3:4]
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:187966
chebi:187966
IWGVBEGLKWWMLK-VKCIEZSMSA-N 		1alpha,25-Dihydroxy-2-[3'-(methoxymethoxy)propylidene]-19-norvitamin D3
(1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-[3-(methoxymethoxy)propylidene]cyclohexane-1,3-diol

lipidmaps:LMST03020685
lipidmapsM:LMST03020685
IWGVBEGLKWWMLK-QQSAZCHISA-N 		1alpha,25-Dihydroxy-2-[3'-(methoxymethoxy)propylidene]-19-norvitamin D3
(5E,7E)-(1R,3R)-2-(3'-(methoxymethoxy)-propylidene)-19-nor-9,10-seco-5,7-cholestatriene-1,3,25-triol