Aloe-emodin 8-O-β-D-glucopyranoside

CAS Registry Number®

33037-46-6
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CAS Name

Aloe-emodin 8-O-β-D-glucopyranoside

Molecular Formula

C21H20O10

Molecular Mass

432.38

Cite this Page

Aloe-emodin 8-O-β-D-glucopyranoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=33037-46-6 (retrieved 2024-07-05) (CAS RN: 33037-46-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    239-240 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H20O10/c22-6-8-4-10-14(11(24)5-8)18(27)15-9(16(10)25)2-1-3-12(15)30-21-20(29)19(28)17(26)13(7-23)31-21/h1-5,13,17,19-24,26,28-29H,6-7H2/t13-,17-,19+,20-,21-/m1/s1

InChIKey

InChIKey=KIZBWUUJNJEYCM-JNHRPPPUSA-N

SMILES

O(C1=C2C(C(=O)C=3C(C2=O)=C(O)C=C(CO)C3)=CC=C1)[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O

Canonical SMILES

O=C1C=2C=CC=C(OC3OC(CO)C(O)C(O)C3O)C2C(=O)C4=C(O)C=C(C=C14)CO

Other Names for this Substance

  • 9,10-Anthracenedione, 8-(β-D-glucopyranosyloxy)-1-hydroxy-3-(hydroxymethyl)-
  • Glucopyranoside, 8-hydroxy-6-(hydroxymethyl)-1-anthraquinonyl, β-D-
  • 8-(β-D-Glucopyranosyloxy)-1-hydroxy-3-(hydroxymethyl)-9,10-anthracenedione
  • Aloe emodin 8-mono-β-D-glucoside
  • 1-Hydroxy-3-hydroxymethyl-8-β-D-glucosyloxyanthraquinone

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Deleted or Replaced CAS Registry Numbers

26896-14-0