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(2R,3R)-1-[(1R,2S,5R)-5-Methyl-2-(1-methyl-1-phenylethyl)cyclohexyl]-4-methyl-3-ethyl-2-hydroxy-2-phenylbutanedioate

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(2R,3R)-1-[(1R,2S,5R)-5-Methyl-2-(1-methyl-1-phenylethyl)cyclohexyl]-4-methyl-3-ethyl-2-hydroxy-2-phenylbutanedioate
SpectraBase Compound ID 24F5ByTAM3M
InChI InChI=1S/C29H38O5/c1-6-23(26(30)33-5)29(32,22-15-11-8-12-16-22)27(31)34-25-19-20(2)17-18-24(25)28(3,4)21-13-9-7-10-14-21/h7-16,20,23-25,32H,6,17-19H2,1-5H3/t20-,23+,24-,25-,29+/m1/s1
InChIKey LDALSHOTPQWPED-GPNLTBIZSA-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 9gFqVpNwLkp
Name (2R,3R)-1-[(1R,2S,5R)-5-Methyl-2-(1-methyl-1-phenylethyl)cyclohexyl]-4-methyl-3-ethyl-2-hydroxy-2-phenylbutanedioate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H38O5
InChI InChI=1S/C29H38O5/c1-6-23(26(30)33-5)29(32,22-15-11-8-12-16-22)27(31)34-25-19-20(2)17-18-24(25)28(3,4)21-13-9-7-10-14-21/h7-16,20,23-25,32H,6,17-19H2,1-5H3/t20-,23+,24-,25-,29+/m1/s1
InChIKey LDALSHOTPQWPED-GPNLTBIZSA-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)(CC)[H])c1ccccc1
SPLASH splash10-014i-0900300000-1d38518df997f04a627d
Source of Spectrum KC-1993-1740-23
Synonyms (2R,3R)-1-[5-Methyl-2-(1-methyl-1-phenylethyl)cyclohexyl]-4-methyl-3-ethyl-2-hydroxy-2-phenylbutanedioate 4-methyl 1-[(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenylethyl)cyclohexyl](2R,3R)-3-ethyl-2-hydroxy-2-phenylbutanedioate
Wiley ID 778414