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Substance Name: Jatrophatrione
RN: 58298-76-3
InChIKey: TYBGBKQPLBAYQG-CJIMKZOCSA-N

Molecular Formula

  • C20-H26-O3

Molecular Weight

  • 314.422
 
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Names and Synonyms

Name of Substance

  • Jatrophatrione

Synonyms

  • 2,3,3a,10,10a,11a-Hexahydro-3,3,6,9,11a-pentamethyl-1H-dicyclopenta(a,d)cyclononene-1,5,11(4H,9H)-trione
  • NSC 254668
  • NSC254668

Systematic Name

  • 1H-Dicyclopenta(a,d)cyclononene-1,5,11(4H,9H)-trione, 2,3,3a,10,10a,11a-hexahydro-3,3,6,9,11a-pentamethyl-, (3aR-(3aR*,6Z,9R*,10aS*,11aS*))-

Registry Numbers

CAS Registry Number

  • 58298-76-3

System Generated Number

  • 0058298763

Structure Descriptors

InChI

1S/C20H26O3/c1-11-6-13-8-12(2)15(21)9-16-19(3,4)10-17(22)20(16,5)18(23)14(13)7-11/h6,8,11,14,16H,7,9-10H2,1-5H3/b12-8-/t11-,14-,16+,20-/m0/s1

InChIKey

TYBGBKQPLBAYQG-CJIMKZOCSA-N

Smiles

C1([C@@]2([C@H](CC(C(=CC=3[C@@H]1C[C@H](C3)C)C)=O)C(CC2=O)(C)C)C)=O