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(23R)-1alpha,23,25-trihydroxy-23-methylvitamin D3 / (23R)-1alpha,23,25-trihydroxy-23-methylcholecalciferol

PropertiesImage
MNX_IDMNXM30679 Image of MNXM30679
referencechebi:178548
formulaC28H46O4
global charge0
mol weight446.672
InChIKeyIURVMXSCXUBNCV-JRKPWWIESA-N
InChIInChI=1S/C28H46O4/c1-18(16-27(5,32)17-26(3,4)31)23-11-12-24-20(8-7-13-28(23,24)6)9-10-21-14-22(29)15-25(30)19(21)2/h9-10,18,22-25,29-32H,2,7-8,11-17H2,1,3-6H3/b20-9+,21-10-/t18-,22-,23-,24+,25+,27-,28-/m1/s1
SMILESC=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)C[C@@](C)(O)CC(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C28H46O4/c1-18(16-27(5,32)17-26(3,4)31)23-11-12-24-20(8-7-13-28(23,24)6)9-10-21-14-22(29)15-25(30)19(21)2/h9-10,18,22-25,29-32H,2,7-8,11-17H2,1,3-6H3/b20-9+,21-10-/t18-,22-,23-,24+,25+,27-,28-/m1/s1 Image of MNXM30679
SMILES (mnx)[CH3:1][C@H:18]([CH2:16][C@:27]([CH3:5])([CH2:17][C:26]([CH3:3])([CH3:4])[OH:31])[OH:32])[C@H:23]1[CH2:11][CH2:12][C@H:24]2/[C:20](=[CH:9]/[CH:10]=[C:21]3/[CH2:14][C@@H:22]([OH:29])[CH2:15][C@H:25]([OH:30])[C:19]3=[CH2:2])[CH2:8][CH2:7][CH2:13][C@:28]12[CH3:6]
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:178548
chebi:178548
IURVMXSCXUBNCV-JRKPWWIESA-N 		(23R)-1alpha,23,25-trihydroxy-23-methylvitamin D3 / (23R)-1alpha,23,25-trihydroxy-23-methylcholecalciferol
(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,4R)-4,6-dihydroxy-4,6-dimethylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

lipidmaps:LMST03020389
lipidmapsM:LMST03020389
IURVMXSCXUBNCV-JRKPWWIESA-N 		(23R)-1alpha,23,25-trihydroxy-23-methylvitamin D3 / (23R)-1alpha,23,25-trihydroxy-23-methylcholecalciferol
(5Z,7E)-(1S,3R,23R)-23-methyl-9,10-seco-5,7,10(19)-cholestatrien-1,3,23,25-tetrol