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Chemical structure of VD2-D3

GC37893

VD2-D3

Also known as (1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-deuterioethylidene]-4-(dideuteriomethylidene)cyclohexan-1-ol

VD2-d3 is the deuterium labeled vitamin D2

ChemicalCAS1217448-46-8MW399.67FormulaC28H41D3O
CAS number
1217448-46-8
Molecular weight
399.67
Formula
C28H41D3O
Solubility
DMSO ： 100 mg/mL (250·21 mM; Need ultrasonic)
InChIKey
MECHNRXZTMCUDQ-BKGWWREFSA-N
Catalogue number
GC37893
Brand
GLPBIO
Computed properties PubChem CID 71310750 · XLogP 7.4 · TPSA 20.2 Ų · H-bond donors 1
XLogP
7.4
TPSA
20.2 Ų
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
5
Heavy atoms
29

SMILES [2H]C(=C/1CC[C@@H](C\C1=C(\[2H])/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)C=C[C@H](C)C(C)C)C)O)[2H]

Computed descriptors from PubChem (CID 71310750), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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