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Substance Name: Scopolin
RN: 531-44-2
UNII: 1Y49270PY8
InChIKey: SGTCGCCQZOUMJJ-YMILTQATSA-N

Note

  • Isolated from Erycibe schmidtii.

Molecular Formula

  • C16-H18-O9

Molecular Weight

  • 354.3092
 
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Names and Synonyms

Name of Substance

  • Scopolin

Synonyms

  • 7beta-D-Glucopyranosyloxy-6-methoxycumarin
  • Murrayin
  • NSC 404560
  • Scopoletin 7-glucoside
  • Scopolin
  • Scopoloside
  • UNII-1Y49270PY8

Systematic Names

  • 2H-1-Benzopyran-2-one, 7-(beta-D-glucopyranosyloxy)-6-methoxy- (9CI)
  • Scopolin (8CI)

Registry Numbers

CAS Registry Number

  • 531-44-2

FDA UNII

  • 1Y49270PY8

System Generated Number

  • 0000531442

Structure Descriptors

InChI

1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1

InChIKey

SGTCGCCQZOUMJJ-YMILTQATSA-N

Smiles

COc1cc2C=CC(=O)Oc2cc1O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O