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2,3-dimethyloxirane-2-carboxylic acid [(1R,3R,5E,10S)-10-hydroxy-3-isopropyl-4,9-diketo-6,10-dimethyl-1-cyclodec-5-enyl] ester

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2,3-dimethyloxirane-2-carboxylic acid [(1R,3R,5E,10S)-10-hydroxy-3-isopropyl-4,9-diketo-6,10-dimethyl-1-cyclodec-5-enyl] ester
SpectraBase Compound ID 27goWVSdguV
InChI InChI=1S/C20H30O6/c1-11(2)14-10-17(25-18(23)20(6)13(4)26-20)19(5,24)16(22)8-7-12(3)9-15(14)21/h9,11,13-14,17,24H,7-8,10H2,1-6H3/b12-9+/t13?,14-,17-,19-,20?/m1/s1
InChIKey XTTHQGPLWSYZEC-KRNAFBMMSA-N
Mol Weight 366.45 g/mol
Molecular Formula C20H30O6
Exact Mass 366.204239 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DFTqLZKv710
Name 2,3-dimethyloxirane-2-carboxylic acid [(1R,3R,5E,10S)-10-hydroxy-3-isopropyl-4,9-diketo-6,10-dimethyl-1-cyclodec-5-enyl] ester
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H30O6
InChI InChI=1S/C20H30O6/c1-11(2)14-10-17(25-18(23)20(6)13(4)26-20)19(5,24)16(22)8-7-12(3)9-15(14)21/h9,11,13-14,17,24H,7-8,10H2,1-6H3/b12-9+/t13?,14-,17-,19-,20?/m1/s1
InChIKey XTTHQGPLWSYZEC-KRNAFBMMSA-N
Literature Reference Author N.OSAKI,T.KOYANO,T.KOWITHAYAKORN,M.HAYASHI,K.KOMIYAMA,M.ISHI BASHI
Literature Reference Citation J.NAT.PROD.,68,447(2005)
Literature Reference DOI 10.1021/np049622e
Molecular Weight 366.455 g/mol
Solvent CDCl3
Source File Reference UWMZ7626