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Alfacalcidol-[d6]

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General Information
Catalog: BLP-001814
CAS: 1641940-94-4
Molecular Formula: C27H38D6O2
Molecular Weight: 406.67

Chemical Structure

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