1-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-8-hydroxy-3-methyl-9,10-anthracenedione

CAS Registry Number®

54944-38-6

CAS Name

1-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-8-hydroxy-3-methyl-9,10-anthracenedione

Molecular Formula

C27H30O14

Molecular Mass

578.52

Cite this Page

1-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-8-hydroxy-3-methyl-9,10-anthracenedione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=54944-38-6 (retrieved 2024-11-25) (CAS RN: 54944-38-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    275-277 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H30O14/c1-9-5-11-17(21(33)16-10(18(11)30)3-2-4-12(16)29)13(6-9)39-27-25(37)23(35)20(32)15(41-27)8-38-26-24(36)22(34)19(31)14(7-28)40-26/h2-6,14-15,19-20,22-29,31-32,34-37H,7-8H2,1H3/t14-,15-,19-,20-,22+,23+,24-,25-,26-,27-/m1/s1

InChIKey

InChIKey=FKODDFZWQVWOAW-ONMHTNRHSA-N

SMILES

O(C1=C2C(C(=O)C=3C(C2=O)=C(O)C=CC3)=CC(C)=C1)[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O

Canonical SMILES

O=C1C=2C=CC=C(O)C2C(=O)C3=C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C=C(C=C13)C

Other Names for this Substance

  • 9,10-Anthracenedione, 1-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-8-hydroxy-3-methyl-
  • 1-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-8-hydroxy-3-methyl-9,10-anthracenedione
  • Chrysophanol 1-O-β-gentiobioside

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