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1-[(R)-5-Methyl-2(S)-(1-methyl-1-phenylethyl)cyclohexyl]4-methyl 2(S)-hydroxy-3,3-dimethyl-2-phenylbutanedioate
SpectraBase Compound ID GGuKHX5kpQy
InChI InChI=1S/C29H38O5/c1-20-17-18-23(27(2,3)21-13-9-7-10-14-21)24(19-20)34-26(31)29(32,22-15-11-8-12-16-22)28(4,5)25(30)33-6/h7-16,20,23-24,32H,17-19H2,1-6H3/t20-,23-,24-,29-/m1/s1
InChIKey ZBWYHXWWLAMWRH-NOTVSQQJSA-N
Mol Weight 466.6 g/mol
Molecular Formula C29H38O5
Exact Mass 466.271924 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8h38WLjqDRZ
Name 1-[(R)-5-Methyl-2(S)-(1-methyl-1-phenylethyl)cyclohexyl]4-methyl 2(S)-hydroxy-3,3-dimethyl-2-phenylbutanedioate
Alternate Name(s) (2R)-1-[5-Methyl-2-(1-methyl-1-phenylethyl)cyclohexyl]4-methyl 2-hydroxy-3,3-dimethyl-2-phenylbutanedioate (S)-2-Hydroxy-3,3-dimethyl-2-phenyl-succinic acid 4-methyl ester 1-[(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)-cyclohexyl]ester 4-Methyl 1-[(1R,2S)-5-methyl-2-(1-methyl-1-phenylethyl)cyclohexyl](2S)-2-hydroxy-3,3-dimethyl-2-phenylbutanedioate
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Formula C29H38O5
InChI InChI=1S/C29H38O5/c1-20-17-18-23(27(2,3)21-13-9-7-10-14-21)24(19-20)34-26(31)29(32,22-15-11-8-12-16-22)28(4,5)25(30)33-6/h7-16,20,23-24,32H,17-19H2,1-6H3/t20-,23-,24-,29-/m1/s1
InChIKey ZBWYHXWWLAMWRH-NOTVSQQJSA-N
Molecular Weight 466.618 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)(C)C)c1ccccc1
SPLASH splash10-014i-0900000000-95d95513ded7498942b3
Source of Spectrum KC-1993-1740-22
Wiley ID 778415