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Substance Name: (1RS, cis(E))-Isokad
RN: 71327-79-2
InChIKey: UGWALRUNBSBTGI-JZAJEYRWSA-N

Molecular Formula

  • C23-H24-O4-S

Molecular Weight

  • 396.505
 
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Names and Synonyms

Results Name

  • (1RS, cis(E))-Isokad

Synonyms

  • (1RS, cis(E))-Isokad
  • BRN 1605066

Systematic Name

  • Cyclopropanecarboxylic acid, 3-((dihydro-2-oxo-3(2H)-thienylidene)methyl)-2,2-dimethyl-, (5-(phenylmethyl)-3-furanyl)methyl ester, (1-alpha,3-alpha(Z))-(+-)-

Registry Numbers

CAS Registry Number

  • 71327-79-2

System Generated Number

  • 0071327792

Structure Descriptors

InChI

1S/C23H24O4S/c1-23(2)19(12-17-8-9-28-22(17)25)20(23)21(24)27-14-16-11-18(26-13-16)10-15-6-4-3-5-7-15/h3-7,11-13,19-20H,8-10,14H2,1-2H3/b17-12-/t19-,20-/m1/s1

InChIKey

UGWALRUNBSBTGI-JZAJEYRWSA-N

Smiles

C1([C@@H]([C@@H]1C(OCc1cc(Cc2ccccc2)oc1)=O)\C=C1\CCSC1=O)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 13mg/kg (13mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 27, Pg. 1112, 1979.