3-[(2-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one

CAS Registry Number®

259234-18-9
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CAS Name

3-[(2-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one

Molecular Formula

C29H34O17

Molecular Mass

654.57

Cite this Page

3-[(2-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-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=259234-18-9 (retrieved 2024-09-19) (CAS RN: 259234-18-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H34O17/c1-40-11-6-13(33)18-15(7-11)42-25(10-3-4-12(32)14(5-10)41-2)26(21(18)36)45-29-27(23(38)20(35)17(9-31)44-29)46-28-24(39)22(37)19(34)16(8-30)43-28/h3-7,16-17,19-20,22-24,27-35,37-39H,8-9H2,1-2H3/t16-,17-,19-,20-,22+,23+,24-,27-,28+,29+/m1/s1

InChIKey

InChIKey=WPIJGCCJUFCJAE-ZNHLPFEVSA-N

SMILES

O(C1=C(OC=2C(C1=O)=C(O)C=C(OC)C2)C3=CC(OC)=C(O)C=C3)[C@H]4[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@@H](CO)O4

Canonical SMILES

O=C1C(OC2OC(CO)C(O)C(O)C2OC3OC(CO)C(O)C(O)C3O)=C(OC4=CC(OC)=CC(O)=C14)C=5C=CC(O)=C(OC)C5

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 3-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-
  • 3-[(2-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one