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Chemical structure of Calcitriol-d3

GC26502

Calcitriol-d3

Also known as trans-(1R,3S,5E)-5-[(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)cyclohexane-1,3-diol

Calcitriol-d3 is the deuterium labeled Calcitriol

ChemicalCAS128723-16-0MW419.65FormulaC27H41D3O3
CAS number
128723-16-0
Molecular weight
419.65
Formula
C27H41D3O3
InChIKey
GMRQFYUYWCNGIN-FQXBOGQXSA-N
Catalogue number
GC26502
Brand
GLPBIO
Computed properties PubChem CID 71310692 · XLogP 5.1 · TPSA 60.7 Ų · H-bond donors 3
XLogP
5.1
TPSA
60.7 Ų
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
30

SMILES [2H]C(=C/1[C@H](C[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)O)[2H]

Computed descriptors from PubChem (CID 71310692), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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