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Ergocalciferol-[d6]

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General Information
Catalog: BLP-012342
CAS: 1311259-89-8
Molecular Formula: C28H38D6O
Molecular Weight: 402.69

Chemical Structure

Description	Ergocalciferol-[d6] is the labelled analogue of Ergocalciferol, which is a fat-soluble vitamin that helps your body absorb calcium and phosphorus.
Synonyms	Ergocalciferol D6
IUPAC Name	(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,2R,5R)-7,7,7-trideuterio-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)
Canonical SMILES	CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
InChI	InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1/i1D3,2D3
InChI Key	MECHNRXZTMCUDQ-MPZUWEMMSA-N
Boiling Point	504.2±29.0 °C at 760 mmHg
Purity	95% by HPLC; 98% atom D
Density	1.0±0.1 g/ml
Appearance	Oil
Storage	Store at -20°C