3,5-Dihydroxy-2-(4-hydroxyphenyl)-7-[[6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one

CAS Registry Number®

85933-23-9

CAS Name

3,5-Dihydroxy-2-(4-hydroxyphenyl)-7-[[6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one

Molecular Formula

C28H24O15

Molecular Mass

600.48

Cite this Page

3,5-Dihydroxy-2-(4-hydroxyphenyl)-7-[[6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=85933-23-9 (retrieved 2024-12-24) (CAS RN: 85933-23-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H24O15/c29-12-3-1-10(2-4-12)26-24(37)22(35)19-14(30)7-13(8-17(19)42-26)41-28-25(38)23(36)21(34)18(43-28)9-40-27(39)11-5-15(31)20(33)16(32)6-11/h1-8,18,21,23,25,28-34,36-38H,9H2/t18-,21-,23+,25-,28-/m1/s1

InChIKey

InChIKey=PJGFYRIIZPHDJQ-JXOXKRRHSA-N

SMILES

O=C1C=2C(OC(=C1O)C3=CC=C(O)C=C3)=CC(O[C@@H]4O[C@H](COC(=O)C5=CC(O)=C(O)C(O)=C5)[C@@H](O)[C@H](O)[C@H]4O)=CC2O

Canonical SMILES

O=C(OCC1OC(OC2=CC(O)=C3C(=O)C(O)=C(OC3=C2)C=4C=CC(O)=CC4)C(O)C(O)C1O)C5=CC(O)=C(O)C(O)=C5

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 3,5-dihydroxy-2-(4-hydroxyphenyl)-7-[[6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]oxy]-
  • Benzoic acid, 3,4,5-trihydroxy-, 6′-ester with 7-(β-D-glucopyranosyloxy)-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
  • 3,5-Dihydroxy-2-(4-hydroxyphenyl)-7-[[6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one

CAS INSIGHTSTM
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