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(4AR, 5S,6S,7S,8aS)-2-benzyl-7-(2-ethyl-hexanoyloxy-3,4,4a,5,6,7,8,8a-octahydro-6-methoxy-5-methoxycarbonyl-1(2H)-isoquin

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(4AR, 5S,6S,7S,8aS)-2-benzyl-7-(2-ethyl-hexanoyloxy-3,4,4a,5,6,7,8,8a-octahydro-6-methoxy-5-methoxycarbonyl-1(2H)-isoquin
SpectraBase Compound ID 1442aaaIAMJ
InChI InChI=1S/C27H39NO6/c1-5-7-13-19(6-2)26(30)34-22-16-21-20(23(24(22)32-3)27(31)33-4)14-15-28(25(21)29)17-18-11-9-8-10-12-18/h8-12,19-24H,5-7,13-17H2,1-4H3
InChIKey KJTRUCWTAQPVFG-UHFFFAOYSA-N
Mol Weight 473.6 g/mol
Molecular Formula C27H39NO6
Exact Mass 473.277738 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7P9nd25Pduj
Name (4AR, 5S,6S,7S,8aS)-2-benzyl-7-(2-ethyl-hexanoyloxy-3,4,4a,5,6,7,8,8a-octahydro-6-methoxy-5-methoxycarbonyl-1(2H)-isoquin
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Formula C27H39NO6
InChI InChI=1S/C27H39NO6/c1-5-7-13-19(6-2)26(30)34-22-16-21-20(23(24(22)32-3)27(31)33-4)14-15-28(25(21)29)17-18-11-9-8-10-12-18/h8-12,19-24H,5-7,13-17H2,1-4H3
InChIKey KJTRUCWTAQPVFG-UHFFFAOYSA-N
Literature Reference S.F. Martin, H. Rueger, S.A. Williamson, J. Am. Chem. Soc. 109, 6124 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3