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rac Enterolactone-[13C3]

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General Information
Catalog: BLP-012096
CAS: 918502-72-4
Molecular Formula: C15[13C]3H18O4
Molecular Weight: 301.31

Chemical Structure

Description	rac Enterolactone-[13C3] is a labelled metabolite of sesame lignans (sesamin, sesamolin). It inhibits colonic cancer cell growth by inducing cell cycle arrest and apoptosis.
Synonyms	rac Enterolactone 13C3
IUPAC Name	(3S)-3,4-bis[(3-hydroxyphenyl)methyl](2,3,5-13C3)oxolan-2-one
Related CAS	78473-71-9 (unlabelled)
Isomeric SMILES	[13CH2]1C([13C@@H]([13C](=O)O1)CC2=CC(=CC=C2)O)CC3=CC(=CC=C3)O
Canonical SMILES	C1C(C(C(=O)O1)CC2=CC(=CC=C2)O)CC3=CC(=CC=C3)O
InChI	InChI=1S/C18H18O4/c19-15-5-1-3-12(8-15)7-14-11-22-18(21)17(14)10-13-4-2-6-16(20)9-13/h1-6,8-9,14,17,19-20H,7,10-11H2/t14?,17-/m0/s1/i11+1,17+1,18+1
InChI Key	HVDGDHBAMCBBLR-AQPGKPQVSA-N
Purity	95% atom 13C
Density	1.3±0.1 g/cm3
Solubility	Soluble in Acetone, Methanol
Appearance	Off-white to Pale Yellow Solid
Application	A labelled metabolite of sesame lignans (sesamin, sesamolin). Inhibits colonic cancer cell growth by inducing cell cycle arrest and apoptosis. Possible relationship between exposure and reduced risk of breast cancer.
Storage	Store at -20°C