2-(3,4-Dihydroxyphenyl)-3-[(3-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-5,7-dihydroxy-4H-1-benzopyran-4-one

CAS Registry Number®

171828-58-3
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CAS Name

2-(3,4-Dihydroxyphenyl)-3-[(3-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-5,7-dihydroxy-4H-1-benzopyran-4-one

Molecular Formula

C27H30O17

Molecular Mass

626.52

Cite this Page

2-(3,4-Dihydroxyphenyl)-3-[(3-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-5,7-dihydroxy-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=171828-58-3 (retrieved 2024-09-19) (CAS RN: 171828-58-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H30O17/c28-6-14-17(34)20(37)21(38)26(41-14)43-24-18(35)15(7-29)42-27(22(24)39)44-25-19(36)16-12(33)4-9(30)5-13(16)40-23(25)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,24,26-35,37-39H,6-7H2/t14-,15-,17-,18-,20+,21-,22-,24+,26+,27+/m1/s1

InChIKey

InChIKey=RAMYMBNTEMMDSX-IKQCVBCTSA-N

SMILES

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

Canonical SMILES

O=C1C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)=C(OC=4C=C(O)C=C(O)C14)C=5C=CC(O)=C(O)C5

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-[(3-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-5,7-dihydroxy-
  • 2-(3,4-Dihydroxyphenyl)-3-[(3-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-5,7-dihydroxy-4H-1-benzopyran-4-one