5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 2-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranuronosyl]-β-D-glucopyranosiduronic acid

CAS Registry Number®

380468-53-1
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CAS Name

5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 2-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranuronosyl]-β-D-glucopyranosiduronic acid

Molecular Formula

C38H36O21

Molecular Mass

828.68

Cite this Page

5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 2-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-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=380468-53-1 (retrieved 2024-09-20) (CAS RN: 380468-53-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C38H36O21/c1-52-22-9-14(3-6-17(22)39)4-8-25(43)56-33-29(46)27(44)32(36(50)51)58-38(33)59-34-30(47)28(45)31(35(48)49)57-37(34)54-16-11-19(41)26-20(42)13-21(55-24(26)12-16)15-5-7-18(40)23(10-15)53-2/h3-13,27-34,37-41,44-47H,1-2H3,(H,48,49)(H,50,51)/b8-4+/t27-,28-,29-,30-,31-,32-,33+,34+,37+,38-/m0/s1

InChIKey

InChIKey=CQSOKHCNRZFEOH-BWRVQHKVSA-N

SMILES

O=C1C=2C(OC(=C1)C3=CC(OC)=C(O)C=C3)=CC(O[C@H]4[C@H](O[C@H]5[C@H](OC(/C=C/C6=CC(OC)=C(O)C=C6)=O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O5)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O4)=CC2O

Canonical SMILES

O=C(O)C1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C=4C=CC(O)=C(OC)C4)C(OC5OC(C(=O)O)C(O)C(O)C5OC(=O)C=CC6=CC=C(O)C(OC)=C6)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 2-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranuronosyl]-
  • β-D-Glucopyranosiduronic acid, 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 2-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranuronosyl]-
  • 5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 2-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranuronosyl]-β-D-glucopyranosiduronic acid

Deleted or Replaced CAS Registry Numbers

1245177-75-6