1-[(O-β-D-Glucopyranosyl-(1→6)-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®

120181-08-0
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CAS Name

1-[(O-β-D-Glucopyranosyl-(1→6)-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

C39H50O24

Molecular Mass

902.80

Cite this Page

1-[(O-β-D-Glucopyranosyl-(1→6)-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=120181-08-0 (retrieved 2024-08-19) (CAS RN: 120181-08-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C39H50O24/c1-11-5-13-21(27(48)20-12(22(13)43)3-2-4-14(20)42)15(6-11)58-38-32(53)29(50)24(45)18(61-38)10-57-37-34(55)35(26(47)17(8-41)60-37)63-39-33(54)30(51)25(46)19(62-39)9-56-36-31(52)28(49)23(44)16(7-40)59-36/h2-6,16-19,23-26,28-42,44-47,49-55H,7-10H2,1H3/t16-,17-,18-,19-,23-,24-,25-,26-,28+,29+,30+,31-,32-,33-,34-,35+,36-,37-,38-,39+/m1/s1

InChIKey

InChIKey=CWGIPJXDFYVNHH-FTBXXNAOSA-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]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[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(COC7OC(CO)C(O)C(O)C7O)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→6)-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→6)-O-β-D-glucopyranosyl-(1→3)-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl)oxy]-8-hydroxy-3-methyl-9,10-anthracenedione