Scopolin
CAS Registry Number®
531-44-2
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CAS Name
ScopolinMolecular Formula
C16H18O9Molecular Mass
354.31Cite this Page
Scopolin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=531-44-2 (retrieved ) (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
Deleted or Replaced CAS Registry Numbers
27013-26-9
