4H-1-Benzopyran-4-one, 3,6-di-β-D-glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-

CAS Registry Number®

90456-55-6

CAS Name

4H-1-Benzopyran-4-one, 3,6-di-β-D-glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-

Molecular Formula

C27H30O15

Molecular Mass

594.52

Cite this Page

4H-1-Benzopyran-4-one, 3,6-di-β-D-glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=90456-55-6 (retrieved 2025-01-07) (CAS RN: 90456-55-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H30O15/c28-6-12-17(32)21(36)23(38)26(41-12)14-10(31)5-11-15(19(14)34)20(35)16(25(40-11)8-1-3-9(30)4-2-8)27-24(39)22(37)18(33)13(7-29)42-27/h1-5,12-13,17-18,21-24,26-34,36-39H,6-7H2/t12-,13-,17-,18-,21+,22+,23-,24-,26+,27+/m1/s1

InChIKey

InChIKey=LXJLIJWTKFLSRJ-VQVVXJKKSA-N

SMILES

O=C1C(=C(OC=2C1=C(O)C(=C(O)C2)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C4=CC=C(O)C=C4)[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O

Canonical SMILES

O=C1C2=C(O)C(=C(O)C=C2OC(C=3C=CC(O)=CC3)=C1C4OC(CO)C(O)C(O)C4O)C5OC(CO)C(O)C(O)C5O

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 3,6-di-β-D-glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-

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