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(1R,2S,2''S,3R,5R)-2-(4-ISOBUTYLPHENYL)-PROPIONIC-ACID-5-ISOPROPENYL-2-METHYL-3-PHENYL-CYCLOHEXYLESTER;MINOR-DIASTEREOMER

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(1R,2S,2''S,3R,5R)-2-(4-ISOBUTYLPHENYL)-PROPIONIC-ACID-5-ISOPROPENYL-2-METHYL-3-PHENYL-CYCLOHEXYLESTER;MINOR-DIASTEREOMER
SpectraBase Compound ID DUmOySrWe5v
InChI InChI=1S/C29H38O2/c1-19(2)16-23-12-14-24(15-13-23)21(5)29(30)31-28-18-26(20(3)4)17-27(22(28)6)25-10-8-7-9-11-25/h7-15,19,21-22,26-28H,3,16-18H2,1-2,4-6H3/t21-,22-,26+,27+,28+/m0/s1
InChIKey DVFUZMWKEFXKOB-SJNZPJEASA-N
Mol Weight 418.6 g/mol
Molecular Formula C29H38O2
Exact Mass 418.28718 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9N8dbiwpRVN
Name (1R,2S,2''S,3R,5R)-2-(4-ISOBUTYLPHENYL)-PROPIONIC-ACID-5-ISOPROPENYL-2-METHYL-3-PHENYL-CYCLOHEXYLESTER;MINOR-DIASTEREOMER
Compound Number 29B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H38O2
InChI InChI=1S/C29H38O2/c1-19(2)16-23-12-14-24(15-13-23)21(5)29(30)31-28-18-26(20(3)4)17-27(22(28)6)25-10-8-7-9-11-25/h7-15,19,21-22,26-28H,3,16-18H2,1-2,4-6H3/t21-,22-,26+,27+,28+/m0/s1
InChIKey DVFUZMWKEFXKOB-SJNZPJEASA-N
Literature Reference Author M.AMONGERO,D.VISNOVEZKY,T.S.KAUFMAN
Literature Reference Citation J.BRAZ.CHEM.SOC.,21,1017(2010)
Literature Reference DOI 10.1590/s0103-50532010000600011
Molecular Weight 418.620 g/mol
Source File Reference UWBT5929