Quercetin-3-O-(2′′-O-galloyl)-β-D-glucopyranoside

CAS Registry Number®

69624-79-9

CAS Name

Quercetin-3-O-(2′′-O-galloyl)-β-D-glucopyranoside

Molecular Formula

C28H24O16

Molecular Mass

616.48

Cite this Page

Quercetin-3-O-(2′′-O-galloyl)-β-D-glucopyranoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=69624-79-9 (retrieved 2024-11-28) (CAS RN: 69624-79-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    198-200 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C28H24O16/c29-8-18-21(37)23(39)26(43-27(40)10-4-15(34)20(36)16(35)5-10)28(42-18)44-25-22(38)19-14(33)6-11(30)7-17(19)41-24(25)9-1-2-12(31)13(32)3-9/h1-7,18,21,23,26,28-37,39H,8H2/t18-,21-,23+,26-,28+/m1/s1

InChIKey

InChIKey=PXGWEUQZDRUMRE-KQOASZHBSA-N

SMILES

O(C1=C(OC=2C(C1=O)=C(O)C=C(O)C2)C3=CC(O)=C(O)C=C3)[C@H]4[C@H](OC(=O)C5=CC(O)=C(O)C(O)=C5)[C@@H](O)[C@H](O)[C@@H](CO)O4

Canonical SMILES

O=C(OC1C(O)C(O)C(OC1OC=2C(=O)C=3C(O)=CC(O)=CC3OC2C=4C=CC(O)=C(O)C4)CO)C5=CC(O)=C(O)C(O)=C5

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[2-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]oxy]-
  • Benzoic acid, 3,4,5-trihydroxy-, 2′-ester with 2-(3,4-dihydroxyphenyl)-3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one
  • 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[[2-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one
  • Quercetin-3-O-(2′′-O-galloyl)-β-D-glucopyranoside
  • Quercetin 3-O-(2-O-galloyl)glucopyranoside

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