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Octahydro-2-methoxy-8,8-dimethyl-pentaleno(1,6a-C)pyran-5(6H)-one isomer 1 (methoxy-configuration)
SpectraBase Compound ID SmkpYVRk8R
InChI InChI=1S/C14H22O3/c1-13(2)5-9-4-11(15)10-7-17-12(16-3)6-14(9,10)8-13/h9-10,12H,4-8H2,1-3H3
InChIKey VXWCNNGKLGPPTF-UHFFFAOYSA-N
Mol Weight 238.33 g/mol
Molecular Formula C14H22O3
Exact Mass 238.156895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8eUkWKI2NPV
Name (2R,4AS, 6aS,9aR)-octahydro-2-methoxy-8,8-dimethyl-pentaleno(1,6a-C)pyran-5(6H)-one
Comments INTERPRETED ACCORDING TO CANE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H22O3
InChI InChI=1S/C14H22O3/c1-13(2)5-9-4-11(15)10-7-17-12(16-3)6-14(9,10)8-13/h9-10,12H,4-8H2,1-3H3
InChIKey VXWCNNGKLGPPTF-UHFFFAOYSA-N
Instrument Name Jeol FX-200
Literature Reference K. Mori, M. Tsuji, Tetrahedron 44, 2835 (1988).
NMR Standard CDCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3