Emodin 1-O-β-D-glucopyranoside

CAS Registry Number®

38840-23-2

CAS Name

Emodin 1-O-β-D-glucopyranoside

Molecular Formula

C21H20O10

Molecular Mass

432.38

Cite this Page

Emodin 1-O-β-D-glucopyranoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=38840-23-2 (retrieved 2024-11-21) (CAS RN: 38840-23-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    239-241 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H20O10/c1-7-2-9-15(18(27)14-10(16(9)25)4-8(23)5-11(14)24)12(3-7)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=ZXXFEBMBNPRRSI-JNHRPPPUSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 9,10-Anthracenedione, 1-(β-D-glucopyranosyloxy)-6,8-dihydroxy-3-methyl-
  • 1-(β-D-Glucopyranosyloxy)-6,8-dihydroxy-3-methyl-9,10-anthracenedione
  • Emodin 1-β-D-glucopyranoside
  • 1-O-β-D-Glucopyranosylemodin
  • Emodin 1-O-β-D-glucopyranoside

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Deleted or Replaced CAS Registry Numbers

100456-03-9, 82145-64-0

CAS INSIGHTSTM
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