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Substance Name: Petasin
RN: 26577-85-5
UNII: 9Z0Q32J0QC
InChIKey: ISTBXSFGFOYLTM-NZEDGPFZSA-N

Note

  • Both petasin and neopetasin inhibit biosynthesis of cysteinyl-leukotriene; unlike petasin, neopetasin does not inhibit eosinophil cation protein releasenor suppresses cPLA2 activity; from Petasites formosanus Kitamurai.

Molecular Formula

  • C20-H28-O3

Molecular Weight

  • 316.4382
 
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Names and Synonyms

Name of Substance

  • Petasin

Synonyms

  • (+)-Petasin
  • UNII-9Z0Q32J0QC

Systematic Name

  • 2-Butanoic acid, 2-methyl-, 1,2,3,4,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-6-oxo-2-naphthalenyl ester, (1R-(1alpha,2beta(Z),7beta,8aalpha))-

Registry Numbers

CAS Registry Number

  • 26577-85-5

FDA UNII

  • 9Z0Q32J0QC

System Generated Number

  • 0026577855

Structure Descriptors

InChI

1S/C20H28O3/c1-7-13(4)19(22)23-18-9-8-15-10-17(21)16(12(2)3)11-20(15,6)14(18)5/h7,10,14,16,18H,2,8-9,11H2,1,3-6H3/b13-7-/t14-,16-,18+,20+/m0/s1

InChIKey

ISTBXSFGFOYLTM-NZEDGPFZSA-N

Smiles

C\C=C(\C)/C(=O)O[C@@H]1CCC2=CC(=O)[C@@H](C[C@]2(C)[C@H]1C)C(=C)C