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25-Hydroxy VD2-[d6]

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General Information
Catalog: BLP-009719
CAS: 1262843-46-8
Molecular Formula: C28H38D6O2
Molecular Weight: 418.68

Chemical Structure

Description	A labelled metabolite of Vitamin D2.
Synonyms	25-Hydroxy Vitamin D2 D6; 25-Hydroxy VD2-D6; 25-Hydroxy Vitamin D2 (26,26,26,27,27,27-d6); 25-Hydroxyergocalciferol-d6; [2H6]-25-Hydroxyvitamin D2
IUPAC Name	(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,2R,5S)-7,7,7-trideuterio-6-hydroxy-5-methyl-6-(trideuteriomethyl)hept-3-en-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
Related CAS	50-14-6 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])C([C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C)(C([2H])([2H])[2H])O
Canonical SMILES	CC(C=CC(C)C(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
InChI	InChI=1S/C28H44O2/c1-19-10-14-24(29)18-23(19)13-12-22-8-7-17-28(6)25(15-16-26(22)28)20(2)9-11-21(3)27(4,5)30/h9,11-13,20-21,24-26,29-30H,1,7-8,10,14-18H2,2-6H3/b11-9+,22-12+,23-13-/t20-,21+,24+,25-,26+,28-/m1/s1/i4D3,5D3
InChI Key	KJKIIUAXZGLUND-SGQRFKNGSA-N
Purity	>98%