3-(β-D-Glucopyranosyloxy)-8-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-(4-hydroxyphenyl)pyrano[4,3,2-de]-1-benzopyrylium

CAS Registry Number®

388089-39-2
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CAS Name

3-(β-D-Glucopyranosyloxy)-8-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-(4-hydroxyphenyl)pyrano[4,3,2-de]-1-benzopyrylium

Molecular Formula

C31H29O13

Cite this Page

3-(β-D-Glucopyranosyloxy)-8-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-(4-hydroxyphenyl)pyrano[4,3,2-de]-1-benzopyrylium.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=388089-39-2 (retrieved 2024-09-20) (CAS RN: 388089-39-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C31H28O13/c1-39-21-7-14(8-22(40-2)25(21)35)29-30(44-31-28(38)27(37)26(36)23(12-32)43-31)17-11-18(13-3-5-15(33)6-4-13)41-19-9-16(34)10-20(42-29)24(17)19/h3-11,23,26-28,31-32,36-38H,12H2,1-2H3,(H2-,33,34,35)/p+1/t23-,26-,27+,28-,31+/m1/s1

InChIKey

InChIKey=QVDUZUIZMDYJSK-BGXVWEPQSA-O

SMILES

O(C=1C2=C3C(=[O+]C1C4=CC(OC)=C(O)C(OC)=C4)C=C(O)C=C3OC(=C2)C5=CC=C(O)C=C5)[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O

Canonical SMILES

OC=1C=CC(=CC1)C=2OC3=CC(O)=CC=4[O+]=C(C(OC5OC(CO)C(O)C(O)C5O)=C(C2)C34)C=6C=C(OC)C(O)=C(OC)C6

Other Names for this Substance

  • Pyrano[4,3,2-de]-1-benzopyrylium, 3-(β-D-glucopyranosyloxy)-8-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-(4-hydroxyphenyl)-
  • 3-(β-D-Glucopyranosyloxy)-8-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-(4-hydroxyphenyl)pyrano[4,3,2-de]-1-benzopyrylium

Deleted or Replaced CAS Registry Numbers

175616-40-7, 1252579-04-6, 1303612-53-4