2-(3,4-Dihydroxyphenyl)-3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-8-yl β-D-glucopyranosiduronic acid

CAS Registry Number®

135010-45-6

CAS Name

2-(3,4-Dihydroxyphenyl)-3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-8-yl β-D-glucopyranosiduronic acid

Molecular Formula

C27H28O19

Molecular Mass

656.50

Cite this Page

2-(3,4-Dihydroxyphenyl)-3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-8-yl β-D-glucopyranosiduronic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=135010-45-6 (retrieved 2024-11-05) (CAS RN: 135010-45-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H28O19/c28-5-11-13(33)15(35)18(38)26(42-11)45-23-14(34)12-9(31)4-10(32)21(22(12)43-20(23)6-1-2-7(29)8(30)3-6)44-27-19(39)16(36)17(37)24(46-27)25(40)41/h1-4,11,13,15-19,24,26-33,35-39H,5H2,(H,40,41)/t11-,13-,15+,16+,17+,18-,19-,24+,26+,27-/m1/s1

InChIKey

InChIKey=YGWFDAMCHDILHX-JQHPUGQPSA-N

SMILES

O(C1=C2C(C(=O)C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C(O2)C4=CC(O)=C(O)C=C4)=C(O)C=C1O)[C@@H]5O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]5O

Canonical SMILES

O=C(O)C1OC(OC2=C(O)C=C(O)C=3C(=O)C(OC4OC(CO)C(O)C(O)C4O)=C(OC23)C=5C=CC(O)=C(O)C5)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, 2-(3,4-dihydroxyphenyl)-3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-8-yl
  • 2-(3,4-Dihydroxyphenyl)-3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-8-yl β-D-glucopyranosiduronic acid

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles