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Substance Name: 3-Furancarboxylic acid, 2,5-dihydro-4-methyl-5-oxo-2-tridecyl-, (S)- (9CI)
RN: 22800-25-5
InChIKey: SLQVVNFTCYVCPB-UHFFFAOYSA-N

Molecular Formula

  • C19-H32-O4

Molecular Weight

  • 324.458
 
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Names and Synonyms

Synonyms

  • (-)-Lichesterinic acid
  • EINECS 245-227-8
  • l-2,5-Dihydro-4-methyl-5-oxo-2-tridecyl-3-furoic acid
  • l-Lichesteric acid

Systematic Names

  • (S)-2-Tridecyl-2,5-dihydro-4-methyl-5-oxo-3-furoic acid
  • 3-Furancarboxylic acid, 2,5-dihydro-4-methyl-5-oxo-2-tridecyl-, (S)- (9CI)
  • 3-Furoic acid, 2,5-dihydro-4-methyl-5-oxo-2-tridecyl-, (S)-(-)- (8CI)
  • 3-Furoic acid, 2,5-dihydro-4-methyl-5-oxo-2-tridecyl-, l-

Registry Numbers

CAS Registry Number

  • 22800-25-5

System Generated Number

  • 0022800255

Structure Descriptors

InChI

1S/C19H32O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-17(18(20)21)15(2)19(22)23-16/h16H,3-14H2,1-2H3,(H,20,21)

InChIKey

SLQVVNFTCYVCPB-UHFFFAOYSA-N

Smiles

C1(=C(C(=O)O[C@@H]1CCCCCCCCCCCCC)C)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03624,