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acetic acid [(1S,3R,3aS,4R,5S,6aS)-6-keto-4-methyl-3-methylol-5-propyl-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)-6-keto-4-methyl-3-methylol-5-propyl-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-yl]methyl ester
SpectraBase Compound ID JJ4RTT3HDnr
InChI InChI=1S/C16H26O4/c1-4-5-13-9(2)14-11(7-17)6-12(8-20-10(3)18)15(14)16(13)19/h9,11-15,17H,4-8H2,1-3H3/t9-,11-,12+,13-,14-,15+/m0/s1
InChIKey NUBNADDICMKYRZ-ILHQOTHWSA-N
Mol Weight 282.38 g/mol
Molecular Formula C16H26O4
Exact Mass 282.183109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GuaPywHe3zs
Name acetic acid [(1S,3R,3aS,4R,5S,6aS)-6-keto-4-methyl-3-methylol-5-propyl-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-yl]methyl ester
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H26O4
InChI InChI=1S/C16H26O4/c1-4-5-13-9(2)14-11(7-17)6-12(8-20-10(3)18)15(14)16(13)19/h9,11-15,17H,4-8H2,1-3H3/t9-,11-,12+,13-,14-,15+/m0/s1
InChIKey NUBNADDICMKYRZ-ILHQOTHWSA-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 282.380 g/mol
Sample ID 46523
Solvent CDCl3