2-(3,4-Dihydroxyphenyl)-3-(β-D-glucopyranosyloxy)-7-(D-xylopyranosyloxy)-4H-1-benzopyran-4-one

CAS Registry Number®

79592-61-3

CAS Name

2-(3,4-Dihydroxyphenyl)-3-(β-D-glucopyranosyloxy)-7-(D-xylopyranosyloxy)-4H-1-benzopyran-4-one

Molecular Formula

C26H28O15

Molecular Mass

580.49

Cite this Page

2-(3,4-Dihydroxyphenyl)-3-(β-D-glucopyranosyloxy)-7-(D-xylopyranosyloxy)-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=79592-61-3 (retrieved 2024-11-12) (CAS RN: 79592-61-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H28O15/c27-7-16-19(33)20(34)22(36)26(40-16)41-24-17(31)11-3-2-10(38-25-21(35)18(32)14(30)8-37-25)6-15(11)39-23(24)9-1-4-12(28)13(29)5-9/h1-6,14,16,18-22,25-30,32-36H,7-8H2/t14-,16-,18+,19-,20+,21-,22-,25?,26+/m1/s1

InChIKey

InChIKey=JURCVZRTMDHGAP-IHEAPHKCSA-N

SMILES

O(C1=C(OC=2C(C1=O)=CC=C(OC3[C@H](O)[C@@H](O)[C@H](O)CO3)C2)C4=CC(O)=C(O)C=C4)[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O

Canonical SMILES

O=C1C(OC2OC(CO)C(O)C(O)C2O)=C(OC3=CC(OC4OCC(O)C(O)C4O)=CC=C13)C=5C=CC(O)=C(O)C5

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-(β-D-glucopyranosyloxy)-7-(D-xylopyranosyloxy)-
  • 2-(3,4-Dihydroxyphenyl)-3-(β-D-glucopyranosyloxy)-7-(D-xylopyranosyloxy)-4H-1-benzopyran-4-one

CAS INSIGHTSTM
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