2-(3,4-Dihydroxyphenyl)-3-[(O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→6)]-β-D-glucopyranosyl)oxy]-5,7-dihydroxy-4H-1-benzopyran-4-one

CAS Registry Number®

55696-56-5

CAS Name

2-(3,4-Dihydroxyphenyl)-3-[(O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→6)]-β-D-glucopyranosyl)oxy]-5,7-dihydroxy-4H-1-benzopyran-4-one

Molecular Formula

C33H40O22

Molecular Mass

788.66

Cite this Page

2-(3,4-Dihydroxyphenyl)-3-[(O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→6)]-β-D-glucopyranosyl)oxy]-5,7-dihydroxy-4H-1-benzopyran-4-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=55696-56-5 (retrieved 2025-02-19) (CAS RN: 55696-56-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C33H40O22/c34-6-15-19(40)23(44)26(47)31(51-15)49-8-17-21(42)25(46)30(55-32-27(48)24(45)20(41)16(7-35)52-32)33(53-17)54-29-22(43)18-13(39)4-10(36)5-14(18)50-28(29)9-1-2-11(37)12(38)3-9/h1-5,15-17,19-21,23-27,30-42,44-48H,6-8H2/t15-,16-,17-,19-,20-,21-,23+,24+,25+,26-,27-,30-,31-,32+,33+/m1/s1

InChIKey

InChIKey=QSUCYXFFQLQGKE-JGPRCQAHSA-N

SMILES

O(C1=C(OC=2C(C1=O)=C(O)C=C(O)C2)C3=CC(O)=C(O)C=C3)[C@H]4[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@@H](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)O4

Canonical SMILES

O=C1C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2OC4OC(CO)C(O)C(O)C4O)=C(OC=5C=C(O)C=C(O)C15)C=6C=CC(O)=C(O)C6

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-[(O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→6)]-β-D-glucopyranosyl)oxy]-5,7-dihydroxy-
  • 2-(3,4-Dihydroxyphenyl)-3-[(O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→6)]-β-D-glucopyranosyl)oxy]-5,7-dihydroxy-4H-1-benzopyran-4-one
  • Q 9

CAS INSIGHTSTM
Lithium-ion battery