Calcitriol-d3

cas: 128723-16-0 — see every product listed under this CAS number, including other names

Calcitriol-d3 (CAS 128723-16-0) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas128723-16-0
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Structural formula: {0} (CAS {1})

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 (CAS 128723-16-0) is a chemical compound with the molecular formula C27H44O3 and a molecular weight of 419.7 g/mol. IUPAC name: 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. InChIKey: GMRQFYUYWCNGIN-FQXBOGQXSA-N.

Identity
Molecular formulaC27H44O3
Molecular weight419.7 g/mol
IUPAC nametrans-(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
InChIKeyGMRQFYUYWCNGIN-FQXBOGQXSA-N
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 by PubChem (NCBI)

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