gluco-Obtusifolin

CAS Registry Number®

120163-18-0

CAS Name

gluco-Obtusifolin

Molecular Formula

C22H22O10

Molecular Mass

446.40

Cite this Page

gluco-Obtusifolin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=120163-18-0 (retrieved 2024-10-30) (CAS RN: 120163-18-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    192-194 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C22H22O10/c1-8-6-10-14(17(27)13-9(15(10)25)4-3-5-11(13)24)21(30-2)20(8)32-22-19(29)18(28)16(26)12(7-23)31-22/h3-6,12,16,18-19,22-24,26,28-29H,7H2,1-2H3/t12-,16-,18+,19-,22+/m1/s1

InChIKey

InChIKey=JMDQOFZFOJHOMU-UJPYTVAASA-N

SMILES

O(C)C1=C2C(C(=O)C=3C(C2=O)=C(O)C=CC3)=CC(C)=C1O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O

Canonical SMILES

O=C1C=2C=CC=C(O)C2C(=O)C=3C(OC)=C(OC4OC(CO)C(O)C(O)C4O)C(=CC13)C

Other Names for this Substance

  • 9,10-Anthracenedione, 2-(β-D-glucopyranosyloxy)-8-hydroxy-1-methoxy-3-methyl-
  • 2-(β-D-Glucopyranosyloxy)-8-hydroxy-1-methoxy-3-methyl-9,10-anthracenedione
  • Glucoobtusifolin
  • gluco-Obtusifolin

Deleted or Replaced CAS Registry Numbers

1189096-17-0