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acetic acid [(1S,3R,3aS,4R,5S,6aS)-5-butyl-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-butyl-6-keto-4-methyl-3-methylol-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-yl]methyl ester
SpectraBase Compound ID Ijt7ouaIriz
InChI InChI=1S/C17H28O4/c1-4-5-6-14-10(2)15-12(8-18)7-13(9-21-11(3)19)16(15)17(14)20/h10,12-16,18H,4-9H2,1-3H3/t10-,12-,13+,14-,15-,16+/m0/s1
InChIKey UULHZKNPYRJEFU-OVSZIMMFSA-N
Mol Weight 296.41 g/mol
Molecular Formula C17H28O4
Exact Mass 296.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EFmxNEmONck
Name acetic acid [(1S,3R,3aS,4R,5S,6aS)-5-butyl-6-keto-4-methyl-3-methylol-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-yl]methyl ester
Compound Number 4D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H28O4
InChI InChI=1S/C17H28O4/c1-4-5-6-14-10(2)15-12(8-18)7-13(9-21-11(3)19)16(15)17(14)20/h10,12-16,18H,4-9H2,1-3H3/t10-,12-,13+,14-,15-,16+/m0/s1
InChIKey UULHZKNPYRJEFU-OVSZIMMFSA-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 296.407 g/mol
Sample ID 46527
Solvent C6D6