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acetic acid [(1S,3R,3aS,4R,5S,6aS)-4-butyl-5-hexyl-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)-4-butyl-5-hexyl-6-keto-3-methylol-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-yl]methyl ester
SpectraBase Compound ID BOZkm1hBwPS
InChI InChI=1S/C22H38O4/c1-4-6-8-9-11-19-18(10-7-5-2)20-16(13-23)12-17(14-26-15(3)24)21(20)22(19)25/h16-21,23H,4-14H2,1-3H3/t16-,17+,18-,19-,20+,21+/m0/s1
InChIKey KOVQJVUDAYYWNP-NXMWLWCLSA-N
Mol Weight 366.5 g/mol
Molecular Formula C22H38O4
Exact Mass 366.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5imukW2xQsz
Name acetic acid [(1S,3R,3aS,4R,5S,6aS)-4-butyl-5-hexyl-6-keto-3-methylol-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-yl]methyl ester
Compound Number 4K
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H38O4
InChI InChI=1S/C22H38O4/c1-4-6-8-9-11-19-18(10-7-5-2)20-16(13-23)12-17(14-26-15(3)24)21(20)22(19)25/h16-21,23H,4-14H2,1-3H3/t16-,17+,18-,19-,20+,21+/m0/s1
InChIKey KOVQJVUDAYYWNP-NXMWLWCLSA-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 366.541 g/mol
Sample ID 46534
Solvent CDCl3