2-[4-(β-D-Glucopyranosyloxy)-3-hydroxyphenyl]-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl β-D-galactopyranosiduronic acid

CAS Registry Number®

126207-52-1
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CAS Name

2-[4-(β-D-Glucopyranosyloxy)-3-hydroxyphenyl]-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl β-D-galactopyranosiduronic acid

Molecular Formula

C27H28O17

Molecular Mass

624.50

Cite this Page

2-[4-(β-D-Glucopyranosyloxy)-3-hydroxyphenyl]-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl β-D-galactopyranosiduronic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=126207-52-1 (retrieved 2024-09-19) (CAS RN: 126207-52-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H28O17/c28-7-16-18(32)19(33)22(36)27(43-16)42-13-2-1-8(3-10(13)29)14-6-12(31)17-11(30)4-9(5-15(17)41-14)40-26-23(37)20(34)21(35)24(44-26)25(38)39/h1-6,16,18-24,26-30,32-37H,7H2,(H,38,39)/t16-,18-,19+,20+,21-,22-,23-,24+,26-,27-/m1/s1

InChIKey

InChIKey=DUNZXXOAZWJFBE-PUJVNBGESA-N

SMILES

O=C1C=2C(OC(=C1)C3=CC(O)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3)=CC(O[C@@H]5O[C@H](C(O)=O)[C@H](O)[C@H](O)[C@H]5O)=CC2O

Canonical SMILES

O=C(O)C1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C=4C=CC(OC5OC(CO)C(O)C(O)C5O)=C(O)C4)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Galactopyranosiduronic acid, 2-[4-(β-D-glucopyranosyloxy)-3-hydroxyphenyl]-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl
  • 2-[4-(β-D-Glucopyranosyloxy)-3-hydroxyphenyl]-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl β-D-galactopyranosiduronic acid

Deleted or Replaced CAS Registry Numbers

190075-62-8, 934015-68-6, 1313238-42-4