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Substance Name: Neopetasin
RN: 70387-53-0
UNII: 59L5U0CR12
InChIKey: ISTBXSFGFOYLTM-RSYQGVQLSA-N

Molecular Weight

  • 316.438
 
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Names and Synonyms

Results Name

  • Neopetasin

Name of Substance

  • Neopetasin

Synonyms

  • Angeloylneopetasol
  • Neopetasin
  • Neopetasol angelate
  • UNII-59L5U0CR12

Systematic Name

  • 2-Butenoic acid, 2-methyl-, (1R,2R,7R,8aR)-1,2,3,4,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-6-oxo-2-naphthalenyl ester, (2Z)-

Registry Numbers

CAS Registry Number

  • 70387-53-0

FDA UNII

  • 59L5U0CR12

System Generated Number

  • 0070387530

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-RSYQGVQLSA-N

Smiles

C(\C(=C/C)C)(=O)O[C@H]1[C@@H]([C@@]2(C[C@@H](C(C=C2CC1)=O)C(=C)C)C)C