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rac Enterolactone-[13C3]

General Information
Catalog: BLP-012096
CAS: 918502-72-4
Molecular Formula: C15[13C]3H18O4
Molecular Weight: 301.31
Chemical Structure
rac Enterolactone-[13C3]
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

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