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2-cetyl-2-hydroxy-5-keto-cyclopent-3-ene-1-carboxylic acid methyl ester
SpectraBase Compound ID 7JmHckb02Pq
InChI InChI=1S/C23H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-23(26)19-17-20(24)21(23)22(25)27-2/h17,19,21,26H,3-16,18H2,1-2H3/t21-,23-/m1/s1
InChIKey KWZRXBBTMLZDDX-FYYLOGMGSA-N
Mol Weight 380.6 g/mol
Molecular Formula C23H40O4
Exact Mass 380.29266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2s80yD95UUA
Name 2-cetyl-2-hydroxy-5-keto-cyclopent-3-ene-1-carboxylic acid methyl ester
Alternate Name(s) 2-Hexadecyl-2-hydroxy-5-oxo-1-cyclopent-3-enecarboxylic acid methyl ester Methyl 2-hexadecyl-2-hydroxy-5-oxo-cyclopent-3-ene-1-carboxylate Methyl 2-hexadecyl-2-oxidanyl-5-oxidanylidene-cyclopent-3-ene-1-carboxylate (1R,2R)-2-hexadecyl-2-hydroxy-5-oxo-1-cyclopent-3-enecarboxylic acid methyl ester Methyl (1R,2R)-2-hexadecyl-2-hydroxy-5-oxocyclopent-3-ene-1-carboxylate Methyl (1R,2R)-2-hexadecyl-2-hydroxy-5-oxo-cyclopent-3-ene-1-carboxylate Methyl (1R,2R)-2-hexadecyl-2-oxidanyl-5-oxidanylidene-cyclopent-3-ene-1-carboxylate
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Formula C23H40O4
InChI InChI=1S/C23H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-23(26)19-17-20(24)21(23)22(25)27-2/h17,19,21,26H,3-16,18H2,1-2H3/t21-,23-/m1/s1
InChIKey KWZRXBBTMLZDDX-FYYLOGMGSA-N
Molecular Weight 380.569 g/mol
SMILES O[C@]1([C@@](C(=O)OC)(C(C=C1)=O)[H])CCCCCCCCCCCCCCCC
SPLASH splash10-014i-9200000000-75fc27497441a8a0ab3a
Source of Spectrum D1-1994-178-1
Wiley ID 834599