(-)-Epicatechin-3′-O-glucuronide
CAS Registry Number®
603133-91-1
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CAS Name
(-)-Epicatechin-3′-O-glucuronideMolecular Formula
C21H22O12Molecular Mass
466.39Cite this Page
(-)-Epicatechin-3′-O-glucuronide. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=603133-91-1 (retrieved ) (CAS RN: 603133-91-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C21H22O12/c22-8-4-11(24)9-6-12(25)18(31-13(9)5-8)7-1-2-10(23)14(3-7)32-21-17(28)15(26)16(27)19(33-21)20(29)30/h1-5,12,15-19,21-28H,6H2,(H,29,30)/t12-,15+,16+,17-,18-,19+,21-/m1/s1
InChIKey
InChIKey=BUONZQIZWIITTB-CVPXIJHMSA-N
SMILES
O[C@H]1[C@H](OC=2C(C1)=C(O)C=C(O)C2)C3=CC(O[C@@H]4O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]4O)=C(O)C=C3
Canonical SMILES
O=C(O)C1OC(OC2=CC(=CC=C2O)C3OC=4C=C(O)C=C(O)C4CC3O)C(O)C(O)C1O
Other Names for this Substance
- β-D-Glucopyranosiduronic acid, 5-[(2R,3R)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-2-hydroxyphenyl
- 5-[(2R,3R)-3,4-Dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-2-hydroxyphenyl β-D-glucopyranosiduronic acid
- (-)-Epicatechin 3′-glucuronide
- (-)-Epicatechin-3′-O-glucuronide
