6-(2,6-Di-O-acetyl-β-D-glucopyranosyl)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one

CAS Registry Number®

131507-98-7
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CAS Name

6-(2,6-Di-O-acetyl-β-D-glucopyranosyl)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one

Molecular Formula

C25H24O13

Molecular Mass

532.45

Cite this Page

6-(2,6-Di-O-acetyl-β-D-glucopyranosyl)-2-(3,4-dihydroxyphenyl)-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=131507-98-7 (retrieved 2024-09-19) (CAS RN: 131507-98-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    180-182 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C25H24O13/c1-9(26)35-8-18-21(32)23(34)25(36-10(2)27)24(38-18)20-15(31)7-17-19(22(20)33)14(30)6-16(37-17)11-3-4-12(28)13(29)5-11/h3-7,18,21,23-25,28-29,31-34H,8H2,1-2H3/t18-,21-,23+,24+,25-/m1/s1

InChIKey

InChIKey=JBEPAVBUODEETF-WIOLZNRFSA-N

SMILES

OC=1C(=C(O)C=C2C1C(=O)C=C(O2)C3=CC(O)=C(O)C=C3)[C@H]4[C@H](OC(C)=O)[C@@H](O)[C@H](O)[C@@H](COC(C)=O)O4

Canonical SMILES

O=C1C=C(OC2=CC(O)=C(C(O)=C12)C3OC(COC(=O)C)C(O)C(O)C3OC(=O)C)C=4C=CC(O)=C(O)C4

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 6-(2,6-di-O-acetyl-β-D-glucopyranosyl)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-
  • 6-(2,6-Di-O-acetyl-β-D-glucopyranosyl)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
  • 2′′,6′′-Di-O-acetylisoorientin