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(4AR, 5S,6S,7S)-2-benzyl-7-(2-ethyl-hexanoyloxy-3,4,4a,5,6,7-hexahydro-6-hydroxy-5-methoxymethoxymethyl-1(2H)-isoquinolon

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(4AR, 5S,6S,7S)-2-benzyl-7-(2-ethyl-hexanoyloxy-3,4,4a,5,6,7-hexahydro-6-hydroxy-5-methoxymethoxymethyl-1(2H)-isoquinolon
SpectraBase Compound ID 49bQvaewPxh
InChI InChI=1S/C27H39NO6/c1-4-6-12-20(5-2)27(31)34-24-15-22-21(23(25(24)29)17-33-18-32-3)13-14-28(26(22)30)16-19-10-8-7-9-11-19/h7-11,15,20-21,23-25,29H,4-6,12-14,16-18H2,1-3H3
InChIKey LFKVXIGNJCYEFO-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 5QikedqwfPq
Name (4AR, 5S,6S,7S)-2-benzyl-7-(2-ethyl-hexanoyloxy-3,4,4a,5,6,7-hexahydro-6-hydroxy-5-methoxymethoxymethyl-1(2H)-isoquinolon
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Formula C27H39NO6
InChI InChI=1S/C27H39NO6/c1-4-6-12-20(5-2)27(31)34-24-15-22-21(23(25(24)29)17-33-18-32-3)13-14-28(26(22)30)16-19-10-8-7-9-11-19/h7-11,15,20-21,23-25,29H,4-6,12-14,16-18H2,1-3H3
InChIKey LFKVXIGNJCYEFO-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