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(2S,3S)-1-[(1R,2S)-5-Methyl-2-(1-methyl-1-phenylethyl)cyclohexyl]4-methyl 3-ethyl-2-hydroxy-2-methylbutandioate
SpectraBase Compound ID 9YfHdiC2ILi
InChI InChI=1S/C24H36O5/c1-7-18(21(25)28-6)24(5,27)22(26)29-20-15-16(2)13-14-19(20)23(3,4)17-11-9-8-10-12-17/h8-12,16,18-20,27H,7,13-15H2,1-6H3/t16-,18-,19-,20-,24+/m1/s1
InChIKey VCKOZFBWAWZSET-DQDQTZLSSA-N
Mol Weight 404.5 g/mol
Molecular Formula C24H36O5
Exact Mass 404.256274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7WWfPzAoGTD
Name (2S,3S)-1-[(1R,2S)-5-Methyl-2-(1-methyl-1-phenylethyl)cyclohexyl]4-methyl 3-ethyl-2-hydroxy-2-methylbutandioate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H36O5
InChI InChI=1S/C24H36O5/c1-7-18(21(25)28-6)24(5,27)22(26)29-20-15-16(2)13-14-19(20)23(3,4)17-11-9-8-10-12-17/h8-12,16,18-20,27H,7,13-15H2,1-6H3/t16-,18-,19-,20-,24+/m1/s1
InChIKey VCKOZFBWAWZSET-DQDQTZLSSA-N
Molecular Weight 404.547 g/mol
SMILES O[C@](C(O[C@]1([C@](C(c2ccccc2)(C)C)(CC[C@](C1)(C)[H])[H])[H])=O)([C@@](C(=O)OC)(CC)[H])C
SPLASH splash10-014i-0900000000-d47664c53dff324bbf32
Source of Spectrum KC-1993-1739-16
Synonyms (2S,3S)-1-[5-Methyl-2-(1-methyl-1-phenylethyl)cyclohexyl]4-methyl 3-ethyl-2-hydroxy-2-methylbutandioate 4-methyl 1-[(1R,2S)-5-methyl-2-(1-methyl-1-phenylethyl)cyclohexyl](2S,3S)-3-ethyl-2-hydroxy-2-methylbutanedioate
Wiley ID 778422