Quercetin 3-O-gentiobioside

CAS Registry Number®

7431-83-6
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CAS Name

Quercetin 3-O-gentiobioside

Molecular Formula

C27H30O17

Molecular Mass

626.52

Cite this Page

Quercetin 3-O-gentiobioside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=7431-83-6 (retrieved 2024-06-26) (CAS RN: 7431-83-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    205-207 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-7-15-18(34)21(37)23(39)27(43-15)44-25-19(35)16-12(32)4-9(29)5-13(16)41-24(25)8-1-2-10(30)11(31)3-8/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=FDRQPMVGJOQVTL-DEFKTLOSSA-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]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O

Canonical SMILES

O=C1C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)=C(OC=4C=C(O)C=C(O)C14)C=5C=CC(O)=C(O)C5

Other Names for this Substance

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

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Deleted or Replaced CAS Registry Numbers

24529-97-3, 32032-22-7, 86797-88-8