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Chemical structure of 25,26-Dihydroxyvitamin D3

GC35081

25,26-Dihydroxyvitamin D3

Also known as (6R)-6-[(1R,3aS,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-methylheptane-1,2-diol

25,26-Dihydroxyvitamin D3(25,26-dihydroxycholecalciferol) is a metabolite of vitamin D3 with intestinal calcium transport activity

ChemicalCAS29261-12-9MW416.64FormulaC27H44O3
CAS number
29261-12-9
Molecular weight
416.64
Formula
C27H44O3
Solubility
DMSO ： 100 mg/mL (240·02 mM; Need ultrasonic)
InChIKey
QOWCBCXATJITSI-ZLNGONTQSA-N
Catalogue number
GC35081
Brand
GLPBIO
Computed properties PubChem CID 21159907 · XLogP 5.1 · TPSA 60.7 Ų · H-bond donors 3
XLogP
5.1
TPSA
60.7 Ų
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
30

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

Computed descriptors from PubChem (CID 21159907), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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