5,7-Bis(acetyloxy)-2-[4-(acetyloxy)phenyl]-3-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-one

CAS Registry Number®

2636-51-3

CAS Name

5,7-Bis(acetyloxy)-2-[4-(acetyloxy)phenyl]-3-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-one

Molecular Formula

C35H34O18

Molecular Mass

742.63

Cite this Page

5,7-Bis(acetyloxy)-2-[4-(acetyloxy)phenyl]-3-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-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=2636-51-3 (retrieved 2024-11-23) (CAS RN: 2636-51-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    218-220 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C35H34O18/c1-15(36)44-14-27-31(48-19(5)40)33(49-20(6)41)34(50-21(7)42)35(52-27)53-32-29(43)28-25(47-18(4)39)12-24(46-17(3)38)13-26(28)51-30(32)22-8-10-23(11-9-22)45-16(2)37/h8-13,27,31,33-35H,14H2,1-7H3/t27-,31-,33+,34-,35+/m1/s1

InChIKey

InChIKey=XNIDEUYQVRRKJJ-FZPNTLRJSA-N

SMILES

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

Canonical SMILES

O=C(OC=1C=CC(=CC1)C=2OC=3C=C(OC(=O)C)C=C(OC(=O)C)C3C(=O)C2OC4OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C4OC(=O)C)C

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 5,7-bis(acetyloxy)-2-[4-(acetyloxy)phenyl]-3-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-
  • Astragalin, heptaacetate
  • 5,7-Bis(acetyloxy)-2-[4-(acetyloxy)phenyl]-3-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-one

CAS INSIGHTSTM
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