Glucoemodin

CAS Registry Number®

34298-85-6
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CAS Name

Glucoemodin

Molecular Formula

C21H20O10

Molecular Mass

432.38

Cite this Page

Glucoemodin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=34298-85-6 (retrieved 2024-08-15) (CAS RN: 34298-85-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    176-178 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H20O10/c1-7-2-9-14(11(23)3-7)18(27)15-10(16(9)25)4-8(5-12(15)24)30-21-20(29)19(28)17(26)13(6-22)31-21/h2-5,13,17,19-24,26,28-29H,6H2,1H3/t13-,17-,19+,20-,21-/m1/s1

InChIKey

InChIKey=UBVJENDWBOVRBS-JNHRPPPUSA-N

SMILES

O=C1C=2C(C(=O)C=3C1=CC(C)=CC3O)=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C2

Canonical SMILES

O=C1C2=CC(OC3OC(CO)C(O)C(O)C3O)=CC(O)=C2C(=O)C4=C(O)C=C(C=C14)C

Other Names for this Substance

  • 9,10-Anthracenedione, 3-(β-D-glucopyranosyloxy)-1,8-dihydroxy-6-methyl-
  • Glucopyranoside, 4,5-dihydroxy-7-methyl-2-anthraquinonyl, β-D-
  • 3-(β-D-Glucopyranosyloxy)-1,8-dihydroxy-6-methyl-9,10-anthracenedione
  • Glucoemodin
  • Emodin 6-O-β-D-glucoside

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Deleted or Replaced CAS Registry Numbers

27497-12-7, 58448-65-0, 86451-01-6