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(1S,2S,2''R,3R,5S)/(1S,2S,2''S,3S,5S)-2-(4-ISOBUTYLPHENYL)-PROPIONIC-ACID-5-ISOPROPENYL-2-METHYL-3-PHENYLSULFANYL-CYCLOHEXYLESTER

View entire compound with spectra: 1 NMR

(1S,2S,2''R,3R,5S)/(1S,2S,2''S,3S,5S)-2-(4-ISOBUTYLPHENYL)-PROPIONIC-ACID-5-ISOPROPENYL-2-METHYL-3-PHENYLSULFANYL-CYCLOHEXYLESTER
SpectraBase Compound ID 3PvKbZXzGOr
InChI InChI=1S/2C29H38O2S/c2*1-19(2)16-23-12-14-24(15-13-23)21(5)29(30)31-27-17-25(20(3)4)18-28(22(27)6)32-26-10-8-7-9-11-26/h2*7-15,19,21-22,25,27-28H,3,16-18H2,1-2,4-6H3/t21-,22+,25+,27-,28+;21-,22-,25-,27+,28-/m01/s1
InChIKey XAQILYXLUNBZOF-KMGIZREVSA-N
Mol Weight 901.4 g/mol
Molecular Formula C58H76O4S2
Exact Mass 900.518503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DDTHGstgElu
Name (1S,2S,2''R,3R,5S)/(1S,2S,2''S,3S,5S)-2-(4-ISOBUTYLPHENYL)-PROPIONIC-ACID-5-ISOPROPENYL-2-METHYL-3-PHENYLSULFANYL-CYCLOHEXYLESTER
Compound Number 22A/B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C58H76O4S2
InChI InChI=1S/2C29H38O2S/c2*1-19(2)16-23-12-14-24(15-13-23)21(5)29(30)31-27-17-25(20(3)4)18-28(22(27)6)32-26-10-8-7-9-11-26/h2*7-15,19,21-22,25,27-28H,3,16-18H2,1-2,4-6H3/t21-,22+,25+,27-,28+;21-,22-,25-,27+,28-/m01/s1
InChIKey XAQILYXLUNBZOF-KMGIZREVSA-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 901.359 g/mol
Source File Reference UWBT5936