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Product Overview

Product Code

TRC-E558952

CAS Number

918502-72-4

Product Format

Neat

Molecular Formula

C1513C3H18O4

Molecular Weight

301.31

Product Categories

TRC, Stable isotopes, Stable Isotope Labelled Analytical Standards, Chiral catalysts, ligands, & reagents

Product Type

Stable Isotope Labelled, Synthesis Tools

Unlabelled CAS Number

78473-71-9

Documentation

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Product Information

Chemical Data

Analyte Name

(+/-) Enterolactone 13C3

CAS Number

918502-72-4

Molecular Formula

C1513C3H18O4

Molecular Weight

301.31

Accurate Mass

301.1306

SMILES

Oc1cccc(C[13C@H]2[C@@H]([13CH2]O[13C]2=O)Cc3cccc(O)c3)c1

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+/m1/s1/i11+1,17+1,18+1

IUPAC

(3S,4S)-3,4-bis[(3-hydroxyphenyl)methyl](2,3,5-^{13}C_{3})oxolan-2-one

Unlabelled CAS Number

78473-71-9

SIL Type

Carbon

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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