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Substance Name: Tenulin
RN: 19202-92-7
UNII: 8O6QE3MHR3
InChIKey: CNIULSUYTFOEHN-MEBIVNBJSA-N

Note

  • Toxic constituent of Helenium amarum (bitter sneezeweed).

Classification Code

  • Mutation Data

Molecular Formula

  • C17-H22-O5

Molecular Weight

  • 306.3558
 
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Names and Synonyms

Name of Substance

  • Tenulin

Synonyms

  • Tenulin
  • UNII-8O6QE3MHR3

Systematic Name

  • Ambros-2-en-12-oic acid, 6-beta,13-epoxy-8-alpha,13-dihydroxy-11-methyl-4-oxo-, gamma-lactone

Registry Numbers

CAS Registry Number

  • 19202-92-7

FDA UNII

  • 8O6QE3MHR3

System Generated Number

  • 0019202927

Structure Descriptors

InChI

1S/C17H22O5/c1-8-7-10-12-13(15(2)9(8)5-6-11(15)18)22-17(4,20)16(12,3)14(19)21-10/h5-6,8-10,12-13,20H,7H2,1-4H3/t8-,9+,10+,12-,13-,15+,16+,17?/m1/s1

InChIKey

CNIULSUYTFOEHN-MEBIVNBJSA-N

Smiles

C[C@@H]1C[C@@H]2OC(=O)[C@]3(C)[C@H]2[C@@H](OC3(C)O)[C@@]4(C)[C@H]1C=CC4=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
hamster LD50 oral 1200mg/kg (1200mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 23, Pg. 845, 1975.
mouse LD50 intraperitoneal 185mg/kg (185mg/kg) GASTROINTESTINAL: PERITONITIS

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: FOOD INTAKE (ANIMAL)
Research Communications in Chemical Pathology and Pharmacology. Vol. 28, Pg. 189, 1980.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.3 (none)   EXP
Water Solubility 2.02E+04 mg/L 25 EST
Vapor Pressure 6.00E-10 mm Hg 25 EST
Henry's Law Constant 2.54E-15 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.03E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.