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acetic acid [(1S,3R,3aS,4R,5S,6aS)-5-amyl-4-butyl-6-keto-3-methylol-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-yl]methyl ester

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acetic acid [(1S,3R,3aS,4R,5S,6aS)-5-amyl-4-butyl-6-keto-3-methylol-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-yl]methyl ester
SpectraBase Compound ID Gi7Xc6apPsI
InChI InChI=1S/C21H36O4/c1-4-6-8-10-18-17(9-7-5-2)19-15(12-22)11-16(13-25-14(3)23)20(19)21(18)24/h15-20,22H,4-13H2,1-3H3/t15-,16+,17-,18-,19+,20+/m0/s1
InChIKey JHUUDWKUWLLHBR-GNVSMLMZSA-N
Mol Weight 352.5 g/mol
Molecular Formula C21H36O4
Exact Mass 352.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5vlkNF6J6un
Name acetic acid [(1S,3R,3aS,4R,5S,6aS)-5-amyl-4-butyl-6-keto-3-methylol-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-yl]methyl ester
Compound Number 4H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H36O4
InChI InChI=1S/C21H36O4/c1-4-6-8-10-18-17(9-7-5-2)19-15(12-22)11-16(13-25-14(3)23)20(19)21(18)24/h15-20,22H,4-13H2,1-3H3/t15-,16+,17-,18-,19+,20+/m0/s1
InChIKey JHUUDWKUWLLHBR-GNVSMLMZSA-N
Literature Reference Author A.BECHEANU,A.BARO,S.LASCHAT,W.FREY
Literature Reference Citation EUR.J.ORG.CHEM.,2215(2006)
Literature Reference DOI 10.1002/ejoc.200500966
Molecular Weight 352.514 g/mol
Sample ID 46531
Solvent CDCl3