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Chemical structure of Calcifediol-d3

GC63877

Calcifediol-d3

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

Calcifediol-d3 is a deuterium labeled Calcifediol

ChemicalCAS140710-94-7MW403.66FormulaC27H41D3O2
CAS number
140710-94-7
Molecular weight
403.66
Formula
C27H41D3O2
Solubility
DMSO ： 100 mg/mL (247·73 mM; Need ultrasonic); DMSO ： 100 mg/mL (247·73 mM; Need ultrasonic)
InChIKey
JWUBBDSIWDLEOM-CMMPNOGOSA-N
Catalogue number
GC63877
Brand
GLPBIO
Computed properties PubChem CID 71314475 · 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(=C\1CC[C@@H](C/C1=C(\[2H])/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C)O)[2H]

Computed descriptors from PubChem (CID 71314475), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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