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(1S,2S)-2-cetyl-2-hydroxy-5-keto-cyclopent-3-ene-1-carboxylic acid methyl ester
SpectraBase Compound ID 8TBUUL1wQ8U
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-/m0/s1
InChIKey KWZRXBBTMLZDDX-GMAHTHKFSA-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 KL4OyH8yvlO
Name (1S,2S)-2-cetyl-2-hydroxy-5-keto-cyclopent-3-ene-1-carboxylic acid methyl ester
Alternate Name(s) (1S,2S)-2-hexadecyl-2-hydroxy-5-oxo-1-cyclopent-3-enecarboxylic acid methyl ester Methyl (1S,2S)-2-hexadecyl-2-hydroxy-5-oxo-cyclopent-3-ene-1-carboxylate Methyl (1S,2S)-2-hexadecyl-2-oxidanyl-5-oxidanylidene-cyclopent-3-ene-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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-/m0/s1
InChIKey KWZRXBBTMLZDDX-GMAHTHKFSA-N
Molecular Weight 380.569 g/mol
SMILES O[C@@]1([C@](C(=O)OC)(C(C=C1)=O)[H])CCCCCCCCCCCCCCCC
SPLASH splash10-0a4i-0902000000-0faf70c351452b4585a6
Source of Spectrum F-51-8753-0
Wiley ID 792903