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Chemical structure of 25-Hydroxy VD2-D6

GC35082

25-Hydroxy VD2-D6

Also known as (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,2R,5S)-7,7,7-trideuterio-6-hydroxy-5-methyl-6-(trideuteriomethyl)hept-3-en-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol

25-Hydroxy VD2-d6 is the deuterium labeled 25-Hydroxy VD2

ChemicalCAS1262843-46-8MW418.68FormulaC28H38D6O2
CAS number
1262843-46-8
Molecular weight
418.68
Formula
C28H38D6O2
Solubility
DMSO ： 100 mg/mL (238·85 mM; Need ultrasonic)
InChIKey
KJKIIUAXZGLUND-SGQRFKNGSA-N
Catalogue number
GC35082
Brand
GLPBIO
Computed properties PubChem CID 66577027 · XLogP 6 · TPSA 40.5 Ų · H-bond donors 2
XLogP
6
TPSA
40.5 Ų
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
30

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

Computed descriptors from PubChem (CID 66577027), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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