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acetic acid [(1S,3R,3aS,4R,5S,6aS)-5-amyl-6-keto-4-methyl-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-6-keto-4-methyl-3-methylol-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-yl]methyl ester
SpectraBase Compound ID B9tYESmkguY
InChI InChI=1S/C18H30O4/c1-4-5-6-7-15-11(2)16-13(9-19)8-14(10-22-12(3)20)17(16)18(15)21/h11,13-17,19H,4-10H2,1-3H3/t11-,13-,14+,15-,16-,17+/m0/s1
InChIKey DSPZOYGKHWDJBA-MNMQIZOCSA-N
Mol Weight 310.43 g/mol
Molecular Formula C18H30O4
Exact Mass 310.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JAJryThUAcS
Name acetic acid [(1S,3R,3aS,4R,5S,6aS)-5-amyl-6-keto-4-methyl-3-methylol-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-yl]methyl ester
Compound Number 4G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H30O4
InChI InChI=1S/C18H30O4/c1-4-5-6-7-15-11(2)16-13(9-19)8-14(10-22-12(3)20)17(16)18(15)21/h11,13-17,19H,4-10H2,1-3H3/t11-,13-,14+,15-,16-,17+/m0/s1
InChIKey DSPZOYGKHWDJBA-MNMQIZOCSA-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 310.434 g/mol
Sample ID 46530
Solvent CDCl3