Calcitriol-d9

cas: 1539301-39-7 — see every product listed under this CAS number, including other names

Calcitriol-d9 (CAS 1539301-39-7) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas1539301-39-7
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Structural formula: {0} (CAS {1})

Trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-7,7,7-trideuterio-6-hydroxy-6-(trideuteriomethyl)heptan-2-yl]-7a-(trideuteriomethyl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol (CAS 1539301-39-7) is a chemical compound with the molecular formula C27H44O3 and a molecular weight of 425.7 g/mol. IUPAC name: trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-7,7,7-trideuterio-6-hydroxy-6-(trideuteriomethyl)heptan-2-yl]-7a-(trideuteriomethyl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol. InChIKey: GMRQFYUYWCNGIN-METNVTIWSA-N.

Identity
Molecular formulaC27H44O3
Molecular weight425.7 g/mol
IUPAC nametrans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-7,7,7-trideuterio-6-hydroxy-6-(trideuteriomethyl)heptan-2-yl]-7a-(trideuteriomethyl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
InChIKeyGMRQFYUYWCNGIN-METNVTIWSA-N
SMILES[2H]C([2H])([2H])[C@]12CCC/C(=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)/[C@@H]1CC[C@@H]2[C@H](C)CCCC(C([2H])([2H])[2H])(C([2H])([2H])[2H])O

Computed by PubChem (NCBI)

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