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rac Enterodiol-[13C3]

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General Information
Catalog: BLP-012095
CAS: 918502-74-6
Molecular Formula: C15[13C]3H22O4
Molecular Weight: 305.34

Chemical Structure

Description	rac Enterodiol-[13C3] is a labelled analog of rac Enterodiol, which is a metabolite of sesame lignan.
Synonyms	rac Enterodiol 13C3; (2R,3R)-rel-2,3-Bis[(3-hydroxyphenyl)methyl]-1,4-butanediol-13C3; (R,R)-(±)-2,3-Bis[(3-hydroxyphenyl)methyl]-1,4-butanediol-13C3
IUPAC Name	2,3-bis[(3-hydroxyphenyl)methyl](1,2,4-13C3)butane-1,4-diol
Related CAS	77756-22-0 (unlabelled)
Isomeric SMILES	C1=CC(=CC(=C1)O)CC([13CH2]O)[13CH](CC2=CC(=CC=C2)O)[13CH2]O
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/i11+1,12+1,15+1
InChI Key	DWONJCNDULPHLV-IPDAJEFHSA-N
Melting Point	174-176 °C
Purity	95% atom 13C
Density	1.3±0.1 g/cm3
Solubility	Soluble in Acetone, Methanol
Appearance	White to Off-white Solid
Storage	Store at -20°C