Scopolin

CAS Registry Number®

531-44-2

CAS Name

Scopolin

Molecular Formula

C16H18O9

Molecular Mass

354.31

Cite this Page

Scopolin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=531-44-2 (retrieved 2024-11-22) (CAS RN: 531-44-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    221-223 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey=SGTCGCCQZOUMJJ-YMILTQATSA-N

SMILES

O(C1=C(OC)C=C2C(=C1)OC(=O)C=C2)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O

Canonical SMILES

O=C1OC=2C=C(OC3OC(CO)C(O)C(O)C3O)C(OC)=CC2C=C1

Other Names for this Substance

  • 2H-1-Benzopyran-2-one, 7-(β-D-glucopyranosyloxy)-6-methoxy-
  • Scopolin
  • 7-(β-D-Glucopyranosyloxy)-6-methoxy-2H-1-benzopyran-2-one
  • Scopoletin 7-glucoside
  • 6-Methoxy-7-(β-D-glucopyranosyloxy)coumarin

View All

Deleted or Replaced CAS Registry Numbers

27013-26-9