Quercetin 3,4′-diglucoside
CAS Registry Number®
29125-80-2
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CAS Name
Quercetin 3,4′-diglucosideMolecular Formula
C27H30O17Molecular Mass
626.52Cite this Page
Quercetin 3,4′-diglucoside. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=29125-80-2 (retrieved ) (CAS RN: 29125-80-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
185-189 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)41-12-2-1-8(3-10(12)31)24-25(19(35)16-11(32)4-9(30)5-13(16)40-24)44-27-23(39)21(37)18(34)15(7-29)43-27/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m1/s1
InChIKey
InChIKey=RPVIQWDFJPYNJM-DEFKTLOSSA-N
SMILES
O(C1=C(OC=2C(C1=O)=C(O)C=C(O)C2)C3=CC(O)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3)[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O
Canonical SMILES
O=C1C(OC2OC(CO)C(O)C(O)C2O)=C(OC=3C=C(O)C=C(O)C13)C=4C=CC(OC5OC(CO)C(O)C(O)C5O)=C(O)C4
Other Names for this Substance
- 4H-1-Benzopyran-4-one, 3-(β-D-glucopyranosyloxy)-2-[4-(β-D-glucopyranosyloxy)-3-hydroxyphenyl]-5,7-dihydroxy-
- Flavone, 3,3′,4′,5,7-pentahydroxy-, 3,4′-di-β-D-glucopyranoside
- 3-(β-D-Glucopyranosyloxy)-2-[4-(β-D-glucopyranosyloxy)-3-hydroxyphenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one
- Quercetin 3,4′-diglucoside
- Quercetin 3,4′-O-β-diglucopyranoside
Deleted or Replaced CAS Registry Numbers
28553-06-2, 886456-72-0
