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1-Ethyl-5-[(1R,2S,5R)-8-Phenylmenthyl](2R,3S)-2-amonium-3-phenylglutarate chloride

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1-Ethyl-5-[(1R,2S,5R)-8-Phenylmenthyl](2R,3S)-2-amonium-3-phenylglutarate chloride
SpectraBase Compound ID Gktzjam85UW
InChI InChI=1S/C29H39NO4.ClH/c1-5-33-28(32)27(30)23(21-12-8-6-9-13-21)19-26(31)34-25-18-20(2)16-17-24(25)29(3,4)22-14-10-7-11-15-22;/h6-15,20,23-25,27H,5,16-19,30H2,1-4H3;1H/t20-,23+,24-,25-,27-;/m1./s1
InChIKey BLIRVRCMGARTBZ-BQBQWKHCSA-N
Mol Weight 502.1 g/mol
Molecular Formula C29H40ClNO4
Exact Mass 501.264586 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1BxIIU2xKv1
Name 1-Ethyl-5-[(1R,2S,5R)-8-Phenylmenthyl](2R,3S)-2-amonium-3-phenylglutarate chloride
Alternate Name(s) (2R,3S)-1-ethoxy-5-{[(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenylethyl)cyclohexyl]oxy}-1,5-dioxo-3-phenyl-2-pentanaminium chloride 1-Ethyl-5-[(1R,2S,5R)-8-Phenylmenthyl](2R,3S)-2-amino-3-phenylglutarate hydrochloride [(1R,2S)-1-carbethoxy-4-[(1R,2S,5R)-2-cumyl-5-methyl-cyclohexoxy]-4-keto-2-phenyl-butyl]ammonium chloride [(1R,2S)-1-ethoxycarbonyl-4-[(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexoxy]-4-oxo-2-phenyl-butyl]ammonium chloride [(2R,3S)-1-ethoxy-5-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxy-1,5-bis(oxidanylidene)-3-phenyl-pentan-2-yl]azanium chloride [(2R,3S)-1-ethoxy-5-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxy-1,5-dioxo-3-phenylpentan-2-yl]ammonium chloride [(2R,3S)-1-ethoxy-5-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxy-1,5-dioxo-3-phenylpentan-2-yl]azanium chloride [(2R,3S)-1-ethoxy-5-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxy-1,5-dioxo-3-phenylpentan-2-yl]ammonium;chloride [(2R,3S)-1-ethoxy-5-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxy-1,5-dioxo-3-phenylpentan-2-yl]azanium;chloride [(1R,2S)-1-ethoxycarbonyl-4-[(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexoxy]-4-oxo-2-phenyl-butyl]ammonium;chloride [(2R,3S)-1-ethoxy-5-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxy-1,5-bis(oxidanylidene)-3-phenyl-pentan-2-yl]azanium;chloride
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Formula C29H40ClNO4
InChI InChI=1S/C29H39NO4.ClH/c1-5-33-28(32)27(30)23(21-12-8-6-9-13-21)19-26(31)34-25-18-20(2)16-17-24(25)29(3,4)22-14-10-7-11-15-22;/h6-15,20,23-25,27H,5,16-19,30H2,1-4H3;1H/t20-,23+,24-,25-,27-;/m1./s1
InChIKey BLIRVRCMGARTBZ-BQBQWKHCSA-N
Molecular Weight 502.095 g/mol
SMILES [Cl-].[NH3+][C@]([C@@](CC(O[C@]1([C@](C(c2ccccc2)(C)C)(CC[C@@](C)(C1)[H])[H])[H])=O)(c1ccccc1)[H])(C(=O)OCC)[H]
SPLASH splash10-0ldi-0940400000-0d6191ecb5675564e658
Source of Spectrum J-64-6563-19
Wiley ID 1530970