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Vitamin D3-[25,26,27-13C3]

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General Information
Catalog: BLP-000292
Molecular Formula: C24[13C]3H44O
Molecular Weight: 387.62

Chemical Structure

Synonyms	Vitamin D3-25,26,27-13C3
IUPAC Name	(1S,3Z)-3-[(2E)-2-[(1R,7aR)-7a-methyl-1-[(2R)-6-(1-13C)methyl(6,7-13C2)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
Related CAS	67-97-0 (unlabelled)
Canonical SMILES	CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
InChI	InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26?,27-/m1/s1/i1+1,2+1,19+1
InChI Key	QYSXJUFSXHHAJI-ZGZAZNHXSA-N
Purity	≥97% (CP); ≥98% atom 13C
Storage	Store at -20°C