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Chemical structure of Calcifediol-D6

GC35582

Calcifediol-D6

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

Calcifediol-d6 is the deuterium labeled Calcifediol

ChemicalCAS78782-98-6MW406.67FormulaC27H38D6O2
CAS number
78782-98-6
Molecular weight
406.67
Formula
C27H38D6O2
Solubility
Soluble in DMSO
InChIKey
JWUBBDSIWDLEOM-QFVHMXLQSA-N
Catalogue number
GC35582
Brand
GLPBIO
Computed properties PubChem CID 66577010 · XLogP 6.2 · TPSA 40.5 Ų · H-bond donors 2
XLogP
6.2
TPSA
40.5 Ų
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
29

SMILES [2H]C([2H])([2H])C(CCC[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 66577010), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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