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25-Hydroxy Vitamin D3-[d6]

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General Information
Catalog: BLP-001991
CAS: 78782-98-6
Molecular Formula: C27H38D6O2
Molecular Weight: 406.67

Chemical Structure

Synonyms	25-Hydroxy Vitamin D3 (26,26,26,27,27,27-d6); Calcifediol-D6; 25-Hydroxy Vitamin D3-d6; (3β,5Z,7E)-9,10-Secocholesta-5,7,10(19)-triene-3,25-diol-d6; 25-Hydroxycholecalciferol-d6; 25-Hydroxyvitamin D-d6
IUPAC Name	(1S,3Z)-3-[(2E)-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-methylidenecyclohexan-1-ol
Related CAS	19356-17-3 (unlabelled)
Canonical SMILES	CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
InChI	InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1/i3D3,4D3
InChI Key	JWUBBDSIWDLEOM-QFVHMXLQSA-N
Melting Point	>49°C (dec.)
Purity	95% (CP); 96% atom D
Solubility	Soluble in Chloroform, Ethyl Acetate, Methanol
Appearance	White to Off-white Solid
Storage	Store at -86°C, under inert atmosphere