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acetic acid [(1S,3R,3aS,4R,5S,6aS)-6-keto-3-methylol-4-phenyl-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-3-methylol-4-phenyl-5-propyl-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-yl]methyl ester
SpectraBase Compound ID L7KP0rGpFxi
InChI InChI=1S/C21H28O4/c1-3-7-17-18(14-8-5-4-6-9-14)19-15(11-22)10-16(12-25-13(2)23)20(19)21(17)24/h4-6,8-9,15-20,22H,3,7,10-12H2,1-2H3/t15-,16+,17-,18-,19+,20+/m0/s1
InChIKey UKZSIGVSVSAPDG-GNVSMLMZSA-N
Mol Weight 344.45 g/mol
Molecular Formula C21H28O4
Exact Mass 344.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1JtjrOPTh7E
Name acetic acid [(1S,3R,3aS,4R,5S,6aS)-6-keto-3-methylol-4-phenyl-5-propyl-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-yl]methyl ester
Compound Number 4C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28O4
InChI InChI=1S/C21H28O4/c1-3-7-17-18(14-8-5-4-6-9-14)19-15(11-22)10-16(12-25-13(2)23)20(19)21(17)24/h4-6,8-9,15-20,22H,3,7,10-12H2,1-2H3/t15-,16+,17-,18-,19+,20+/m0/s1
InChIKey UKZSIGVSVSAPDG-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 344.451 g/mol
Sample ID 46526
Solvent CDCl3