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Chemical structure of 23,25-Dihydroxy-24-oxovitamin D3

GC62767

23,25-Dihydroxy-24-oxovitamin D3

Also known as (6R)-6-[(1R,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,4-dihydroxy-2-methylheptan-3-one

23,25-Dihydroxy-24-oxovitamin D3 is a major metabolite of 24(R),25-Dihydroxyvitamin D3

ChemicalCAS84164-55-6MW430.62FormulaC27H42O4
CAS number
84164-55-6
Molecular weight
430.62
Formula
C27H42O4
InChIKey
LYVJVKJTSXESPC-SLOLHKEZSA-N
Catalogue number
GC62767
Brand
GLPBIO
Computed properties PubChem CID 6439689 · XLogP 4.4 · TPSA 77.8 Ų · H-bond donors 3
XLogP
4.4
TPSA
77.8 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
31

SMILES C[C@H](CC(C(=O)C(C)(C)O)O)[C@H]1CCC\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C

Computed descriptors from PubChem (CID 6439689), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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