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

CAS Registry Number®

120181-07-9
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CAS Name

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

Molecular Formula

C33H40O19

Molecular Mass

740.66

Cite this Page

1-[(O-β-D-Glucopyranosyl-(1→3)-O-β-D-glucopyranosyl-(1→6)-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=120181-07-9 (retrieved 2024-08-10) (CAS RN: 120181-07-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C33H40O19/c1-10-5-12-19(24(41)18-11(20(12)37)3-2-4-13(18)36)14(6-10)48-32-27(44)26(43)22(39)17(51-32)9-47-31-29(46)30(23(40)16(8-35)49-31)52-33-28(45)25(42)21(38)15(7-34)50-33/h2-6,15-17,21-23,25-36,38-40,42-46H,7-9H2,1H3/t15-,16-,17-,21-,22-,23-,25+,26+,27-,28-,29-,30+,31-,32-,33+/m1/s1

InChIKey

InChIKey=SOWISUOFXLRAML-VULFOYAMSA-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]5[C@H](O)[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@@H](CO)O5)[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(OC6OC(CO)C(O)C(O)C6O)C5O)C(O)C(O)C4O)C=C(C=C13)C

Other Names for this Substance

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