Quercetin 3-O-(6-O-acetyl-β-D-glucopyranoside)
CAS Registry Number®
54542-51-7
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CAS Name
Quercetin 3-O-(6-O-acetyl-β-D-glucopyranoside)Molecular Formula
C23H22O13Molecular Mass
506.41Cite 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 ) (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)
Deleted or Replaced CAS Registry Numbers
1012316-12-9
