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Substance Name: Cepacin A
RN: 91682-95-0
InChIKey: JEIZSZALEPNPQG-PKNBQFBNSA-N

Note

  • Isolated from fermentation broth of Pseudomonas (Burkholderia) cepacia.

Molecular Formula

  • C16-H14-O4

Molecular Weight

  • 270.283
 
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Names and Synonyms

Name of Substance

  • Cepacin A

Synonyms

  • 2(5H)-Furanone, 5-(3-(3-(1,2-heptadiene-4,6-diynyl)oxiranyl)-3-hydroxy-1-propenyl)dihydro-
  • 4,5-Dihydro-5-(3-hydroxy-4-oxododeca-1,6,7-trien-9,11-diynyl)-2(3H)-furanone
  • Cepacin A

Systematic Names

  • 2(3H)-Furanone, 4,5-dihydro-5-(3-hydroxy-4-oxododeca-1,6,7-trien-9,11-diynyl)-
  • 2(5H)-Furanone, 5-(3-(3-(1,2-heptadiene-4,6-diynyl)oxiranyl)-3-hydroxy-1-propenyl)dihydro-

Registry Numbers

CAS Registry Number

  • 91682-95-0

System Generated Number

  • 0091682950

Structure Descriptors

InChI

1S/C16H14O4/c1-2-3-4-5-6-7-8-14(17)15(18)11-9-13-10-12-16(19)20-13/h1,5,7,9,11,13,15,18H,8,10,12H2/b11-9+

InChIKey

JEIZSZALEPNPQG-PKNBQFBNSA-N

Smiles

O1[C@@H](\C=C\[C@@H](C(CC=C=CC#CC#C)=O)O)CCC1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 30mg/kg (30mg/kg)   Journal of Antibiotics. Vol. 37, Pg. 431, 1984.