Quercetin 3-O-(6-O-acetyl-β-D-glucopyranoside)

CAS Registry Number®

54542-51-7

CAS Name

Quercetin 3-O-(6-O-acetyl-β-D-glucopyranoside)

Molecular Formula

C23H22O13

Molecular Mass

506.41

Cite this Page

Quercetin 3-O-(6-O-acetyl-β-D-glucopyranoside).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=54542-51-7 (retrieved 2024-11-22) (CAS RN: 54542-51-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17-,19+,20-,23+/m1/s1

InChIKey

InChIKey=IGLUNMMNDNWZOA-LNNZMUSMSA-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(C)=O)[C@@H](O)[C@H](O)[C@H]4O

Canonical SMILES

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

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 3-[(6-O-acetyl-β-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-
  • 3-[(6-O-Acetyl-β-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
  • 3,3′,4′,5,7-Pentahydroxyflavone 3-(6′′-O-acetyl-β-D-glucopyranoside)
  • Quercetin 3-O-(6-O-acetyl-β-D-glucopyranoside)
  • Quercetin 3-O-(6-acetylglucoside)

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Deleted or Replaced CAS Registry Numbers

1012316-12-9

CAS INSIGHTSTM
Targeted protein degrader structure, illustration