Quercetin 3-O-[6′′-O-(3-hydroxy-3-methylglutaroyl)-β-D-galactoside]

CAS Registry Number®

106915-93-9
No image available.

CAS Name

Quercetin 3-O-[6′′-O-(3-hydroxy-3-methylglutaroyl)-β-D-galactoside]

Molecular Formula

C27H28O16

Molecular Mass

608.50

Cite this Page

Quercetin 3-O-[6′′-O-(3-hydroxy-3-methylglutaroyl)-β-D-galactoside].   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=106915-93-9 (retrieved 2024-09-19) (CAS RN: 106915-93-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H28O16/c1-27(39,7-17(32)33)8-18(34)40-9-16-20(35)22(37)23(38)26(42-16)43-25-21(36)19-14(31)5-11(28)6-15(19)41-24(25)10-2-3-12(29)13(30)4-10/h2-6,16,20,22-23,26,28-31,35,37-39H,7-9H2,1H3,(H,32,33)/t16-,20+,22+,23-,26+,27?/m1/s1

InChIKey

InChIKey=FMMBDZGNMFRGMV-HINBARQISA-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](COC(CC(CC(O)=O)(C)O)=O)[C@H](O)[C@H](O)[C@H]4O

Canonical SMILES

O=C(O)CC(O)(C)CC(=O)OCC1OC(OC=2C(=O)C=3C(O)=CC(O)=CC3OC2C=4C=CC(O)=C(O)C4)C(O)C(O)C1O

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 3-[[6-O-(4-carboxy-3-hydroxy-3-methyl-1-oxobutyl)-β-D-galactopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-
  • 3-[[6-O-(4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl)-β-D-galactopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
  • Quercetin 3-O-[6′′-O-(3-hydroxy-3-methylglutaroyl)-β-D-galactopyranoside]
  • Quercetin 3-O-[6′′-O-(3-hydroxy-3-methylglutaroyl)-β-D-galactoside]

Deleted or Replaced CAS Registry Numbers

1399066-88-6