5,6-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 2-O-β-D-glucopyranuronosyl-β-D-glucopyranosiduronic acid

CAS Registry Number®

150641-65-9
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CAS Name

5,6-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 2-O-β-D-glucopyranuronosyl-β-D-glucopyranosiduronic acid

Molecular Formula

C27H26O18

Molecular Mass

638.48

Cite this Page

5,6-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 2-O-β-D-glucopyranuronosyl-β-D-glucopyranosiduronic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=150641-65-9 (retrieved 2024-09-20) (CAS RN: 150641-65-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H26O18/c28-8-3-1-7(2-4-8)10-5-9(29)13-11(41-10)6-12(14(30)15(13)31)42-27-23(19(35)18(34)22(44-27)25(39)40)45-26-20(36)16(32)17(33)21(43-26)24(37)38/h1-6,16-23,26-28,30-36H,(H,37,38)(H,39,40)/t16-,17-,18-,19-,20+,21-,22-,23+,26-,27+/m0/s1

InChIKey

InChIKey=IBLZNWWZRXJQAK-DBFWEQBMSA-N

SMILES

OC1=C2C(OC(=CC2=O)C3=CC=C(O)C=C3)=CC(O[C@H]4[C@H](O[C@@H]5O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O4)=C1O

Canonical SMILES

O=C(O)C1OC(OC2C(O)C(O)C(OC2OC=3C=C4OC(=CC(=O)C4=C(O)C3O)C=5C=CC(O)=CC5)C(=O)O)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, 5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 2-O-β-D-glucopyranuronosyl-
  • 5,6-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 2-O-β-D-glucopyranuronosyl-β-D-glucopyranosiduronic acid