John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=10FUSnOi5q7 SpectraBase Spectrum ID=H4iFSGesKOH

(accessed ).
acetic acid [(1R,5aS,9aS,9bR)-3-keto-6,6,9a-trimethyl-5,5a,7,8,9,9b-hexahydro-1H-benzo[g]isobenzofuran-1-yl] ester
SpectraBase Compound ID 10FUSnOi5q7
InChI InChI=1S/C17H24O4/c1-10(18)20-15-13-11(14(19)21-15)6-7-12-16(2,3)8-5-9-17(12,13)4/h6,12-13,15H,5,7-9H2,1-4H3/t12-,13+,15+,17-/m0/s1
InChIKey SJDJUIMBNKGXTB-SHFYGJNESA-N
Mol Weight 292.38 g/mol
Molecular Formula C17H24O4
Exact Mass 292.167459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H4iFSGesKOH
Name acetic acid [(1R,5aS,9aS,9bR)-3-keto-6,6,9a-trimethyl-5,5a,7,8,9,9b-hexahydro-1H-benzo[g]isobenzofuran-1-yl] ester
Compound Number 5
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Formula C17H24O4
InChI InChI=1S/C17H24O4/c1-10(18)20-15-13-11(14(19)21-15)6-7-12-16(2,3)8-5-9-17(12,13)4/h6,12-13,15H,5,7-9H2,1-4H3/t12-,13+,15+,17-/m0/s1
InChIKey SJDJUIMBNKGXTB-SHFYGJNESA-N
Literature Reference Author V.J.PAUL,Y.SEO,K.W.CHO,J.R.RHO,J.SHIN,P.R.BERGQUIST
Literature Reference Citation J.NAT.PROD.,60,1115(1997)
Literature Reference DOI 10.1021/np9703297
Molecular Weight 292.375 g/mol
Solvent CDCl3
Source File Reference WANG556
SpectraBase Batch ID 9XKk5n0qmkc