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Alfacalcidol-[d6]

General Information
Catalog: BLP-001814
CAS: 1641940-94-4
Molecular Formula: C27H38D6O2
Molecular Weight: 406.67
Chemical Structure
Alfacalcidol-[d6]
Description Alfacalcidol-[d6], is the labelled analogue of Alfacalcidol. Alfacalcidol is an active metabolite of Vitamin D, which performs important functions in regulation of the calcium balance and the bone metabolism.
Synonyms 1a Hydroxyvitamin D3-d6 (26,26,26,27,27,27-d6); Alfacalcidol-D6
IUPAC Name (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-7,7,7-trideuterio-6-(trideuteriomethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Related CAS 41294-56-8 (unlabelled)
Canonical SMILES CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C
InChI InChI=1S/C27H44O2/c1-18(2)8-6-9-19(3)24-13-14-25-21(10-7-15-27(24,25)5)11-12-22-16-23(28)17-26(29)20(22)4/h11-12,18-19,23-26,28-29H,4,6-10,13-17H2,1-3,5H3/b21-11+,22-12-/t19-,23-,24-,25+,26+,27-/m1/s1/i1D3,2D3
InChI Key OFHCOWSQAMBJIW-VLUFQIGVSA-N
Boiling Point 531.5±50.0 °C at 760 mmHg
Density 1.0±0.1 g/cm3

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