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Chemical structure of (24S)-24,25-Dihydroxyvitamin D3

GC34967

(24S)-24,25-Dihydroxyvitamin D3

Also known as 6-[4-[2-(5-hydroxy-2-methylidenecyclohexylidene)ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-2,3-diol

(24S)-24,25-Dihydroxyvitamin D3 ((24S)-24,25-Dihydroxycholecalciferol) is an inactive form of vitamin D3 which undergoes various levels of hydroxylation to form active vitamin D3 analogs

ChemicalCAS55700-58-8MW416.64FormulaC27H44O3
CAS number
55700-58-8
Molecular weight
416.64
Formula
C27H44O3
Solubility
DMSO ： 100 mg/mL (240·02 mM; Need ultrasonic)
InChIKey
FCKJYANJHNLEEP-UHFFFAOYSA-N
Catalogue number
GC34967
Brand
GLPBIO
Computed properties PubChem CID 1590 · XLogP 5 · TPSA 60.7 Ų · H-bond donors 3
XLogP
5
TPSA
60.7 Ų
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
30

SMILES CC(CCC(C(C)(C)O)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C

Computed descriptors from PubChem (CID 1590), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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