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

CAS Registry Number®

134953-93-8
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CAS Name

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

Molecular Formula

C33H40O21

Molecular Mass

772.66

Cite this Page

2-(3,4-Dihydroxyphenyl)-3-[(O-β-D-glucopyranosyl-(1→3)-O-6-deoxy-α-L-mannopyranosyl-(1→6)-β-D-galactopyranosyl)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=134953-93-8 (retrieved 2024-09-19) (CAS RN: 134953-93-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C33H40O21/c1-9-19(39)29(53-32-25(45)23(43)20(40)16(7-34)51-32)27(47)31(49-9)48-8-17-21(41)24(44)26(46)33(52-17)54-30-22(42)18-14(38)5-11(35)6-15(18)50-28(30)10-2-3-12(36)13(37)4-10/h2-6,9,16-17,19-21,23-27,29,31-41,43-47H,7-8H2,1H3/t9-,16+,17+,19-,20+,21-,23-,24-,25+,26+,27+,29+,31+,32-,33-/m0/s1

InChIKey

InChIKey=XEFNBVWDOQCMSG-GJHFDJSNSA-N

SMILES

O(C1=C(OC=2C(C1=O)=C(O)C=C(O)C2)C3=CC(O)=C(O)C=C3)[C@@H]4O[C@H](CO[C@H]5[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](C)O5)[C@H](O)[C@H](O)[C@H]4O

Canonical SMILES

O=C1C(OC2OC(COC3OC(C)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C(O)C2O)=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→3)-O-6-deoxy-α-L-mannopyranosyl-(1→6)-β-D-galactopyranosyl)oxy]-5,7-dihydroxy-
  • 2-(3,4-Dihydroxyphenyl)-3-[(O-β-D-glucopyranosyl-(1→3)-O-6-deoxy-α-L-mannopyranosyl-(1→6)-β-D-galactopyranosyl)oxy]-5,7-dihydroxy-4H-1-benzopyran-4-one
  • Quercetin 3-O-β-D-glucosyl-(1→3)-α-L-rhamnosyl-(1→6)-β-D-galactoside

Deleted or Replaced CAS Registry Numbers

713489-06-6