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1,25-Dihydroxyvitamin D3-[d6]

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General Information
Catalog: BLP-006601
Molecular Formula: C27H38D6O3
Molecular Weight: 422.7

Chemical Structure

Synonyms	Calcitriol-d6
IUPAC Name	(1R,3S)-5-[2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-7,7,7-trideuterio-6-hydroxy-6-(trideuteriomethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Related CAS	32511-63-0 (unlabelled) 32222-06-3
Canonical SMILES	CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C
InChI	InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/t18-,22-,23-,24+,25+,27-/m1/s1/i3D3,4D3
InChI Key	GMRQFYUYWCNGIN-OWKVYBDPSA-N
Purity	95% by CP; 98% atom D