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2beta-methoxy-1alpha,25-dihydroxyvitamin D3

PropertiesImage
MNX_IDMNXM35841 Image of MNXM35841
referencechebi:178538
formulaC28H46O4
global charge0
mol weight446.672
InChIKeyIYVWHAHWFGFFIF-ZWBLGGIOSA-N
InChIInChI=1S/C28H46O4/c1-18(9-7-15-27(3,4)31)22-13-14-23-20(10-8-16-28(22,23)5)11-12-21-17-24(29)26(32-6)25(30)19(21)2/h11-12,18,22-26,29-31H,2,7-10,13-17H2,1,3-6H3/b20-11+,21-12-/t18-,22-,23+,24-,25-,26-,28-/m1/s1
SMILESC=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)[C@@H](OC)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C28H46O4/c1-18(9-7-15-27(3,4)31)22-13-14-23-20(10-8-16-28(22,23)5)11-12-21-17-24(29)26(32-6)25(30)19(21)2/h11-12,18,22-26,29-31H,2,7-10,13-17H2,1,3-6H3/b20-11+,21-12-/t18-,22-,23+,24-,25-,26-,28-/m1/s1 Image of MNXM35841
SMILES (mnx)[CH3:1][C@H:18]([CH2:9][CH2:7][CH2:15][C:27]([CH3:3])([CH3:4])[OH:31])[C@H:22]1[CH2:13][CH2:14][C@H:23]2/[C:20](=[CH:11]/[CH:12]=[C:21]3/[CH2:17][C@@H:24]([OH:29])[C@@H:26]([O:32][CH3:6])[C@H:25]([OH:30])[C:19]3=[CH2:2])[CH2:10][CH2:8][CH2:16][C@:28]12[CH3:5]
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:178538
chebi:178538
IYVWHAHWFGFFIF-ZWBLGGIOSA-N 		2beta-methoxy-1alpha,25-dihydroxyvitamin D3
(1R,2R,3R,5Z)-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-methoxy-4-methylidenecyclohexane-1,3-diol

lipidmaps:LMST03020603
lipidmapsM:LMST03020603
IYVWHAHWFGFFIF-ZWBLGGIOSA-N 		2beta-methoxy-1alpha,25-dihydroxyvitamin D3
(5Z,7E)-(1R,2R,3R)-2-methoxy-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol