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24,25-Dihydroxyvitamin D3-[d6]

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General Information
Catalog: BLP-001988
CAS: 1440957-55-0
Molecular Formula: C27H38D6O3
Molecular Weight: 422.67

Chemical Structure

Description	24,25-Dihydroxyvitamin D3-[d6], is the labelled analogue of 24,25-Dihydroxyvitamin D3, which is a metabolite of Vitamin D.
Synonyms	Secalciferol-d6; (3R,6R)-2-Methyl-6-[(1R,3aS,4E,7aR)-octahydro-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-1H-inden-1-yl]-2,3-heptanediol-d6; (3β,5Z,7E,24R)-9,10-Secocholesta-5,7,10(19)-triene-3,24,25-triol-d6; PRI 1201-d6; (24R)-Hydroxycalcidiol-d6; 24R,25-Dihydroxyvitamin D3-d6; K-DR-d6; Osteo D-d6; 24,25-Dihydroxyvitamin D3-D6
IUPAC Name	(3R,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1,1,1-trideuterio-2-(trideuteriomethyl)heptane-2,3-diol
Related CAS	55721-11-4 (unlabelled)
Canonical SMILES	CC(CCC(C(C)(C)O)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
InChI	InChI=1S/C27H44O3/c1-18-8-12-22(28)17-21(18)11-10-20-7-6-16-27(5)23(13-14-24(20)27)19(2)9-15-25(29)26(3,4)30/h10-11,19,22-25,28-30H,1,6-9,12-17H2,2-5H3/b20-10+,21-11-/t19-,22+,23-,24+,25-,27-/m1/s1/i3D3,4D3
InChI Key	FCKJYANJHNLEEP-YIZZJVCQSA-N
Melting Point	63-65°C
Purity	> 98%
Solubility	Soluble in Chloroform, Methanol
Appearance	White to Off-white Solid
Storage	Store at -86°C, under inert atmosphere