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Episterol-[25,26,26,26,27,27,27-d7]

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General Information
Catalog: BLP-012859
CAS: 221104-74-1
Molecular Formula: C28H39D7O
Molecular Weight: 405.72

Chemical Structure

Description	Episterol-[25,26,26,26,27,27,27-d7] is the labelled analogue of Episterol. Episterol is a compound that affects biosynthesis of ergosterol and has antifungal effects.
Synonyms	Ergosta-7,24(28)-dien-25,26,26,26,27,27,27-d7-3beta-ol; (3β,5α)-Ergosta-7,24(28)-dien-25,26,26,26,27,27,27-d7-3-ol; 24-Methyl-5α-cholesta-7,24(28)-dien-3β-ol-25,26,26,26,27,27,27-d7; Episterin-25,26,26,26,27,27,27-d7; Episterol-25,26,26,26,27,27,27-d7; Δ7,24(28)-Ergostadienol-25,26,26,26,27,27,27-d7
IUPAC Name	(3S,5S,9R,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6,7,7,7-tetradeuterio-5-methylidene-6-(trideuteriomethyl)heptan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Related CAS	474-68-0 (unlabelled)
Canonical SMILES	CC(C)C(=C)CCC(C)C1CCC2C1(CCC3C2=CCC4C3(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/h10,18,20-22,24-26,29H,3,7-9,11-17H2,1-2,4-6H3/t20-,21+,22+,24-,25+,26+,27+,28-/m1/s1/i1D3,2D3,18D
InChI Key	BTCAEOLDEYPGGE-IZNMUTCZSA-N
Purity	>95% by HPLC
Solubility	Soluble in Chloroform (Slightly), Ethyl Acetate (Slightly)
Appearance	White Solid
Storage	Store at -20°C