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acetic acid [(1R,2R,4Z,9Z,11S)-8-keto-4,12,12-trimethyl-2-bicyclo[9.1.0]dodeca-4,9-dienyl] ester
SpectraBase Compound ID 6VhVF7h0rUJ
InChI InChI=1S/C17H24O3/c1-11-6-5-7-13(19)8-9-14-16(17(14,3)4)15(10-11)20-12(2)18/h6,8-9,14-16H,5,7,10H2,1-4H3/b9-8-,11-6-/t14-,15+,16-/m0/s1
InChIKey BESWSXOVDJDSKQ-HUJQHWLQSA-N
Mol Weight 276.38 g/mol
Molecular Formula C17H24O3
Exact Mass 276.172545 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LTjBD1nOzHM
Name acetic acid [(1R,2R,4Z,9Z,11S)-8-keto-4,12,12-trimethyl-2-bicyclo[9.1.0]dodeca-4,9-dienyl] ester
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H24O3
InChI InChI=1S/C17H24O3/c1-11-6-5-7-13(19)8-9-14-16(17(14,3)4)15(10-11)20-12(2)18/h6,8-9,14-16H,5,7,10H2,1-4H3/b9-8-,11-6-/t14-,15+,16-/m0/s1
InChIKey BESWSXOVDJDSKQ-HUJQHWLQSA-N
Literature Reference Author Y.GUO,J.XU,Y.LI,R.WATANABE,Y.OSHIMA,T.YAMAKUNI,Y.OHIZUMI
Literature Reference Citation CHEM.PHARM.BULL.,54,123(2006)
Literature Reference DOI 10.1248/cpb.54.123
Molecular Weight 276.376 g/mol
Sample ID 33442
Solvent CDCl3