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Chemical structure of 1alpha, 24, 25-Trihydroxy VD2

GC35062

1alpha, 24, 25-Trihydroxy VD2

Also known as trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R)-5,6-dihydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

1alpha, 24, 25-Trihydroxy VD2 is a vitamin D analog

ChemicalCAS457048-34-9MW444.65FormulaC28H44O4
CAS number
457048-34-9
Molecular weight
444.65
Formula
C28H44O4
Solubility
DMSO ： 12·5 mg/mL (28·11 mM; ultrasonic and warming and heat to 60°C)
InChIKey
KRGCLKZOZQUAFK-UAAWEXCDSA-N
Catalogue number
GC35062
Brand
GLPBIO
Computed properties PubChem CID 15170989 · XLogP 3.7 · TPSA 80.9 Ų · H-bond donors 4
XLogP
3.7
TPSA
80.9 Ų
H-bond donors
4
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
32

SMILES C[C@H](/C=C/C(C)(C(C)(C)O)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C

Computed descriptors from PubChem (CID 15170989), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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