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25-Hydroxyvitamin D3 Sulfate-[d6] Sodium Salt

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General Information
Catalog: BLP-006619
Molecular Formula: C27H37D6NaO5S
Molecular Weight: 508.72

Chemical Structure

Synonyms	25-Hydroxyvitamin D3-d6 Sulfate Sodium Salt; sodium (S,Z)-3-(2-((1R,3aS,7aR,E)-1-((R)-6-hydroxy-6-(methyl-d3)heptan-2-yl-7,7,7-d3)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexyl sulfate
IUPAC Name	sodium;[(1S,3Z)-3-[(2E)-2-[(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-methylidenecyclohexyl] sulfate
Related CAS	99447-30-0 (unlabelled Free Acid)
Canonical SMILES	CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)OS(=O)(=O)[O-])C.[Na+]
InChI	InChI=1S/C27H44O5S.Na/c1-19-10-13-23(32-33(29,30)31)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)28;/h11-12,20,23-25,28H,1,6-10,13-18H2,2-5H3,(H,29,30,31);/q;+1/p-1/b21-11+,22-12-;/t20-,23+,24?,25?,27-;/m1./s1/i3D3,4D3;
InChI Key	UVFUTTRHHIQISA-DZAJWRDGSA-M
Purity	97% by CP; 98% atom D
Storage	Store at -20°C