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Ergosta-5,24(28)-dien-3beta-ol-[25,26,26,26,27,27,27-d7]

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General Information
Catalog: BLP-012861
CAS: 209112-82-3
Molecular Formula: C28H39D7O
Molecular Weight: 405.72

Chemical Structure

Description	Ergosta-5,24(28)-dien-3beta-ol-[25,26,26,26,27,27,27-d7] is the labelled analogue of Ergosta-5,24(28)-dien-3beta-ol, which is a metabolite of Cholesterol. It is a potential ligand for the nuclear receptor LXR and also a new endogenous CYP3A marker.
Synonyms	Ergosta-5,24(28)-dien-25,26,26,26,27,27,27-d7-3beta-ol; (3β)-Ergosta-5,24(28)-dien-trien-25,26,26,26,27,27,27-d7-3-ol; 24-Methylenecholesterol-25,26,26,26,27,27,27-d7; 24-Methylenecholest-5-en-3β-ol-25,26,26,26,27,27,27-d7; Ostreasterol-25,26,26,26,27,27,27-d7
IUPAC Name	(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6,7,7,7-tetradeuterio-5-methylidene-6-(trideuteriomethyl)heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Related CAS	474-63-5 (unlabelled)
Canonical SMILES	CC(C)C(=C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
InChI	InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18,20,22-26,29H,3,7-8,10-17H2,1-2,4-6H3/t20-,22+,23+,24-,25+,26+,27+,28-/m1/s1/i1D3,2D3,18D
InChI Key	INDVLXYUCBVVKW-PNQHCZJJSA-N
Purity	>95% by HPLC; 99% atom D
Solubility	Soluble in Chloroform (Slightly), Methanol (Slightly, Heated)
Appearance	White Solid
Storage	Store at -20°C under inert atmosphere