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2,3-(4,5-Methylenedioxy-benzo)-4,5-(2,3,4-trimethoxy-benzo)-7-carbomethoxy-cyclooctanone diastereomer 1
SpectraBase Compound ID BjrAMuDrXqM
InChI InChI=1S/C22H22O8/c1-25-18-7-11-5-12(22(24)28-4)6-15(23)13-8-16-17(30-10-29-16)9-14(13)19(11)21(27-3)20(18)26-2/h7-9,12H,5-6,10H2,1-4H3
InChIKey AWKMMWNRUIDOBK-UHFFFAOYSA-N
Mol Weight 414.41 g/mol
Molecular Formula C22H22O8
Exact Mass 414.131468 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J634fAQN9uR
Name 2,3-(4,5-Methylenedioxy-benzo)-4,5-(2,3,4-trimethoxy-benzo)-7-carbomethoxy-cyclooctanone diastereomer 2
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Formula C22H22O8
InChI InChI=1S/C22H22O8/c1-25-18-7-11-5-12(22(24)28-4)6-15(23)13-8-16-17(30-10-29-16)9-14(13)19(11)21(27-3)20(18)26-2/h7-9,12H,5-6,10H2,1-4H3
InChIKey AWKMMWNRUIDOBK-UHFFFAOYSA-N
Instrument Name SF = 270 MHz
Literature Reference A.I. Meyers, J.R. Flisak, R.A.Aitken, J. Am. Chem. Soc. 109, 5446 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3