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Substance Name: Fraxinellone
RN: 28808-62-0
InChIKey: XYYAFLHHHZVPRN-GXTWGEPZSA-N

Classification Codes

  • Natural Product
  • Reproductive Effect

Molecular Formula

  • C14-H16-O3

Molecular Weight

  • 232.277
 
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Names and Synonyms

Name of Substance

  • Fraxinellone

Synonym

  • Fraxinellone

Systematic Names

  • 1(3H)-Isobenzofuranone, 3-(3-furanyl)-3a,4,5,6-tetrahydro-3a,7-dimethyl-, (3R-cis)- (9CI)
  • Phthalide, 3-(3-furyl)-3a,4,5,6-tetrahydro-3a,7-dimethyl-

Registry Numbers

CAS Registry Number

  • 28808-62-0

System Generated Number

  • 0028808620

Structure Descriptors

InChI

1S/C14H16O3/c1-9-4-3-6-14(2)11(9)13(15)17-12(14)10-5-7-16-8-10/h5,7-8,12H,3-4,6H2,1-2H3/t12-,14+/m0/s1

InChIKey

XYYAFLHHHZVPRN-GXTWGEPZSA-N

Smiles

C1(C=2[C@@]([C@@H](O1)c1cocc1)(CCCC2C)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 355mg/kg (355mg/kg)   Planta Medica. Vol. 53, Pg. 399, 1987.
mouse LD50 oral 430mg/kg (430mg/kg)   Planta Medica. Vol. 53, Pg. 399, 1987.
rat LD50 intraperitoneal 116mg/kg (116mg/kg)   Planta Medica. Vol. 53, Pg. 399, 1987.
rat LD50 oral 274mg/kg (274mg/kg)   Planta Medica. Vol. 53, Pg. 399, 1987.