6,8-Di-β-D-glucopyranosyl-5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one

CAS Registry Number®

32361-88-9
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CAS Name

6,8-Di-β-D-glucopyranosyl-5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one

Molecular Formula

C27H30O15

Molecular Mass

594.52

Cite this Page

6,8-Di-β-D-glucopyranosyl-5,7-dihydroxy-3-(4-hydroxyphenyl)-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=32361-88-9 (retrieved 2024-09-19) (CAS RN: 32361-88-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    228-230 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H30O15/c28-5-11-17(32)21(36)23(38)26(41-11)14-19(34)13-16(31)10(8-1-3-9(30)4-2-8)7-40-25(13)15(20(14)35)27-24(39)22(37)18(33)12(6-29)42-27/h1-4,7,11-12,17-18,21-24,26-30,32-39H,5-6H2/t11-,12-,17-,18-,21+,22+,23-,24-,26+,27+/m1/s1

InChIKey

InChIKey=ISNRVVKKHPECQN-BOLWDHOCSA-N

SMILES

OC=1C(=C2C(=C(O)C1[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C(=CO2)C4=CC=C(O)C=C4)[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O

Canonical SMILES

O=C1C(=COC2=C1C(O)=C(C(O)=C2C3OC(CO)C(O)C(O)C3O)C4OC(CO)C(O)C(O)C4O)C=5C=CC(O)=CC5

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 6,8-di-β-D-glucopyranosyl-5,7-dihydroxy-3-(4-hydroxyphenyl)-
  • Paniculatin
  • 6,8-Di-β-D-glucopyranosyl-5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
  • Genistein 6,8-di-C-glucoside
  • Paniculatin (Dalbergia)