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rac Enterodiol-[d6]

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General Information
Catalog: BLP-004012
CAS: 104411-12-3
Molecular Formula: C18H16D6O4
Molecular Weight: 308.40

Chemical Structure

Description	Isotope labelled rac Enterodiol, a compound closely related to Enterolactone. A metabolite of sesame lignans (sesamin, sesamolin). Inhibits colonic cancer cell growth by inducing cell cycle arrest and apoptosis.
Synonyms	(2R,3R)-rel-2,3-Bis[(3-hydroxyphenyl)methyl]-1,4-butanediol-d6; (R,R)-(±)-2,3-Bis[(3-hydroxyphenyl)methyl]-1,4-butanediol-d6
IUPAC Name	2,3-bis[(2,4,6-trideuterio-3-hydroxyphenyl)methyl]butane-1,4-diol
Canonical SMILES	C1=CC(=CC(=C1)O)CC(CO)C(CC2=CC(=CC=C2)O)CO
InChI	InChI=1S/C18H22O4/c19-11-15(7-13-3-1-5-17(21)9-13)16(12-20)8-14-4-2-6-18(22)10-14/h1-6,9-10,15-16,19-22H,7-8,11-12H2/i3D,4D,5D,6D,9D,10D
InChI Key	DWONJCNDULPHLV-LJYPPAMPSA-N
Melting Point	178-180°C
Purity	>98%
Solubility	Soluble in Acetonitrile, DMSO, Methanol
Appearance	White Solid
Storage	Store at-20°C