2-[3,5-Bis(β-D-glucopyranosyloxy)-4-hydroxyphenyl]-3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-1-benzopyrylium

CAS Registry Number®

132548-17-5

CAS Name

2-[3,5-Bis(β-D-glucopyranosyloxy)-4-hydroxyphenyl]-3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-1-benzopyrylium

Molecular Formula

C33H41O22

Cite this Page

2-[3,5-Bis(β-D-glucopyranosyloxy)-4-hydroxyphenyl]-3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-1-benzopyrylium.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=132548-17-5 (retrieved 2025-01-08) (CAS RN: 132548-17-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C33H40O22/c34-6-17-21(40)24(43)27(46)31(53-17)50-14-1-9(2-15(20(14)39)51-32-28(47)25(44)22(41)18(7-35)54-32)30-16(5-11-12(38)3-10(37)4-13(11)49-30)52-33-29(48)26(45)23(42)19(8-36)55-33/h1-5,17-19,21-29,31-36,40-48H,6-8H2,(H2-,37,38,39)/p+1/t17-,18-,19-,21-,22-,23-,24+,25+,26+,27-,28-,29-,31-,32-,33-/m1/s1

InChIKey

InChIKey=QLGDRYVFMZAWDU-KCRRSQHJSA-O

SMILES

O(C=1C(=[O+]C2=C(C1)C(O)=CC(O)=C2)C3=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C(O)C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)=C3)[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O

Canonical SMILES

OC=1C=C(O)C=2C=C(OC3OC(CO)C(O)C(O)C3O)C(=[O+]C2C1)C=4C=C(OC5OC(CO)C(O)C(O)C5O)C(O)=C(OC6OC(CO)C(O)C(O)C6O)C4

Other Names for this Substance

  • 1-Benzopyrylium, 2-[3,5-bis(β-D-glucopyranosyloxy)-4-hydroxyphenyl]-3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-
  • 2-[3,5-Bis(β-D-glucopyranosyloxy)-4-hydroxyphenyl]-3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-1-benzopyrylium

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