3-epi-Calcifediol-d3

cas: 2206653-61-2 — see every product listed under this CAS number, including other names

3-epi-Calcifediol-d3 (CAS 2206653-61-2) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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catalog numberHY-141933S-Get quote
cas2206653-61-2
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Structural formula: {0} (CAS {1})

(1R,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 (CAS 2206653-61-2) is a chemical compound with the molecular formula C27H44O2 and a molecular weight of 403.7 g/mol. IUPAC name: (1R,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. InChIKey: JWUBBDSIWDLEOM-BOFGWHLFSA-N.

Identity
Molecular formulaC27H44O2
Molecular weight403.7 g/mol
IUPAC name(1R,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
InChIKeyJWUBBDSIWDLEOM-BOFGWHLFSA-N
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 by PubChem (NCBI)

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