Analyte Name

7-Hydroxy Coumarin-13C6 2,3,4-Tri-O-acetyl-beta-D-glucuronide Methyl Ester

Molecular Formula

13C6 C16 H22 O12

Molecular Weight

484.359

Accurate Mass

484.131

SMILES

COC(=O)[C@H]1O[C@@H](O[13c]2[13cH][13cH][13c]3C=CC(=O)O[13c]3[13cH]2)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C

InChI

InChI=1S/C22H22O12/c1-10(23)29-17-18(30-11(2)24)20(31-12(3)25)22(34-19(17)21(27)28-4)32-14-7-5-13-6-8-16(26)33-15(13)9-14/h5-9,17-20,22H,1-4H3/t17-,18-,19-,20+,22+/m0/s1/i5+1,7+1,9+1,13+1,14+1,15+1

IUPAC

methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-(2-oxochromen-7-yl)oxyoxane-2-carboxylate

Unlabelled CAS Number

168286-97-3

SIL Type

Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat