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

CAS Registry Number®

98891-91-9
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CAS Name

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

Molecular Formula

C28H32O15

Molecular Mass

608.54

Cite this Page

4H-1-Benzopyran-4-one, 3,6-di-C-β-D-glucopyranosyl-5,7-dihydroxy-2-(4-methoxyphenyl)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=98891-91-9 (retrieved 2024-09-19) (CAS RN: 98891-91-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H32O15/c1-40-10-4-2-9(3-5-10)26-17(28-25(39)23(37)19(33)14(8-30)43-28)21(35)16-12(41-26)6-11(31)15(20(16)34)27-24(38)22(36)18(32)13(7-29)42-27/h2-6,13-14,18-19,22-25,27-34,36-39H,7-8H2,1H3/t13-,14-,18-,19-,22+,23+,24-,25-,27+,28+/m1/s1

InChIKey

InChIKey=RRYBNEMBSQZZBH-BPZUQCIGSA-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(OC)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(OC)=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-C-β-D-glucopyranosyl-5,7-dihydroxy-2-(4-methoxyphenyl)-
  • 3,6-Di-C-β-D-glucopyranosylacacetin
  • 3,6-Di-C-β-D-glucosylacacetin