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6R-Acetoxy-3R-(4-methyl-3-penten-1-yl)-1R,3-dimethyl-2-oxo-bicyclo(2.2.2)octane-4R-carboxylic acid

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6R-Acetoxy-3R-(4-methyl-3-penten-1-yl)-1R,3-dimethyl-2-oxo-bicyclo(2.2.2)octane-4R-carboxylic acid
SpectraBase Compound ID F3lbbI8keMK
InChI InChI=1S/C18H28O5/c1-12(2)7-6-8-17(5)18(15(20)21)10-9-16(4,23-17)14(11-18)22-13(3)19/h7,14H,6,8-11H2,1-5H3,(H,20,21)/t14-,16+,17-,18-/m1/s1
InChIKey SHSSCMARSSCKSS-BZZMCLGOSA-N
Mol Weight 324.42 g/mol
Molecular Formula C18H28O5
Exact Mass 324.193674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5s7hZzZuzdX
Name 6S-Acetoxy-3R-(4-methyl-3-penten-1-yl)-1S,3-dimethyl-2-oxo-bicyclo(2.2.2)octane-4S-carboxylic acid
CAS Registry Number 104643-30-3
Comments reassigned
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H28O5
InChI InChI=1S/C18H28O5/c1-12(2)7-6-8-17(5)18(15(20)21)10-9-16(4,23-17)14(11-18)22-13(3)19/h7,14H,6,8-11H2,1-5H3,(H,20,21)/t14-,16+,17-,18-/m1/s1
InChIKey SHSSCMARSSCKSS-BZZMCLGOSA-N
Literature Reference J.D. Martin, C. Perez, J.L. Ravelo, J. Am. Chem. Soc. 108, 7801 (1986).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3