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Substance Name: Citlalitrione
RN: 116368-91-3
InChIKey: AHQGAOBRELESIP-YYICRKBNSA-N

Note

  • From plant extract of Jatropha dioica.

Molecular Formula

  • C20-H26-O4

Molecular Weight

  • 330.4214
 
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Names and Synonyms

Name of Substance

  • Citlalitrione

Systematic Name

  • Cyclopenta(4',5')cyclonona(1',2':1,5)cyclopent(1,2-b)oxirene-4,8,9(5H)-trione, 5a,6,7,8a,9a,10,11,11a-octahydro-3,6,6,8a,11-pentamethyl-, (5aR-(1aR*,5aR*,8aS*,9aS*,11R*,11aS*))-

Registry Numbers

CAS Registry Number

  • 116368-91-3

System Generated Number

  • 0116368913

Structure Descriptors

InChI

1S/C20H26O4/c1-10-6-12-16(23)19(5)14(18(3,4)9-15(19)22)7-13(21)11(2)8-20(12)17(10)24-20/h8,10,12,14,17H,6-7,9H2,1-5H3/b11-8-/t10-,12-,14-,17+,19+,20-/m1/s1

InChIKey

AHQGAOBRELESIP-YYICRKBNSA-N

Smiles

C[C@@H]1C[C@@H]2C(=O)[C@]3([C@H](CC(=O)/C(=C\[C@]24[C@H]1O4)/C)C(CC3=O)(C)C)C