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Substance Name: Xanthatin
RN: 26791-73-1
UNII: 298X1N12LS
InChIKey: RBRPTFMVULVGIC-ZTIIIDENSA-N

Note

  • A phytogenic antineoplastic agent.

Molecular Weight

  • 246.304
 
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Names and Synonyms

Name of Substance

  • Xanthatin

Synonyms

  • 8-epi-Xanthatin
  • UNII-298X1N12LS

Systematic Name

  • 3,3a,4,7,8,8a-Hexahydro-7-methyl-3-methylene-6-(3-oxo-1-butenyl)-2H-cyclohepta(b)furan-2-one

Registry Numbers

CAS Registry Number

  • 26791-73-1

FDA UNII

  • 298X1N12LS

System Generated Number

  • 0026791731

Structure Descriptors

InChI

1S/C15H18O3/c1-9-8-14-13(11(3)15(17)18-14)7-6-12(9)5-4-10(2)16/h4-6,9,13-14H,3,7-8H2,1-2H3/b5-4+/t9-,13+,14-/m0/s1

InChIKey

RBRPTFMVULVGIC-ZTIIIDENSA-N

Smiles

O1[C@@H]2[C@@H](C(C1=O)=C)CC=C([C@H](C2)C)\C=C\C(C)=O