Rhein 8-O-β-D-glucopyranoside

CAS Registry Number®

34298-86-7

CAS Name

Rhein 8-O-β-D-glucopyranoside

Molecular Formula

C21H18O11

Molecular Mass

446.36

Cite this Page

Rhein 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=34298-86-7 (retrieved 2024-12-04) (CAS RN: 34298-86-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    266-270 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H18O11/c22-6-12-16(25)18(27)19(28)21(32-12)31-11-3-1-2-8-14(11)17(26)13-9(15(8)24)4-7(20(29)30)5-10(13)23/h1-5,12,16,18-19,21-23,25,27-28H,6H2,(H,29,30)/t12-,16-,18+,19-,21-/m1/s1

InChIKey

InChIKey=WYKUTTFFZMQCGO-HTRBZNBPSA-N

SMILES

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

Canonical SMILES

O=C(O)C1=CC(O)=C2C(=O)C=3C(OC4OC(CO)C(O)C(O)C4O)=CC=CC3C(=O)C2=C1

Other Names for this Substance

  • 2-Anthracenecarboxylic acid, 5-(β-D-glucopyranosyloxy)-9,10-dihydro-4-hydroxy-9,10-dioxo-
  • Glucorhein
  • 2-Anthroic acid, 5-(β-D-glucopyranosyloxy)-9,10-dihydro-4-hydroxy-9,10-dioxo-
  • 5-(β-D-Glucopyranosyloxy)-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenecarboxylic acid
  • Glucorein

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Deleted or Replaced CAS Registry Numbers

11005-31-5, 26896-15-1, 27120-22-5, 27576-40-5, 28880-29-7, 84746-40-7

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