8-(2,6-Di-O-acetyl-β-D-glucopyranosyl)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one

CAS Registry Number®

131507-99-8

CAS Name

8-(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

8-(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=131507-99-8 (retrieved 2024-11-22) (CAS RN: 131507-99-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    175-176 °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(33)22(34)25(36-10(2)27)24(38-18)20-15(31)6-14(30)19-16(32)7-17(37-23(19)20)11-3-4-12(28)13(29)5-11/h3-7,18,21-22,24-25,28-31,33-34H,8H2,1-2H3/t18-,21-,22+,24+,25-/m1/s1

InChIKey

InChIKey=IOPSQVHEVILLRN-LNWLOANASA-N

SMILES

OC=1C(=C2C(C(=O)C=C(O2)C3=CC(O)=C(O)C=C3)=C(O)C1)[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(OC=2C1=C(O)C=C(O)C2C3OC(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, 8-(2,6-di-O-acetyl-β-D-glucopyranosyl)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-
  • 8-(2,6-Di-O-acetyl-β-D-glucopyranosyl)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
  • 2′′,6′′-Di-O-acetylorientin

CAS INSIGHTSTM
Targeted protein degrader structure, illustration