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(4AR, 5S,6S,7S)-2-benzyl-6-benzyloxy-7-(2-ethyl-hexanoyloxy)-1,2,3,4,4a,5,6,7-octahydro-5-methoxycarbonyl-1(2H)-isoquinol

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(4AR, 5S,6S,7S)-2-benzyl-6-benzyloxy-7-(2-ethyl-hexanoyloxy)-1,2,3,4,4a,5,6,7-octahydro-5-methoxycarbonyl-1(2H)-isoquinol
SpectraBase Compound ID GrGeKG40rl9
InChI InChI=1S/C33H43NO5/c1-4-6-17-27(5-2)39-32(35)29-20-26-22-34(21-24-13-9-7-10-14-24)19-18-28(26)30(33(36)37-3)31(29)38-23-25-15-11-8-12-16-25/h7-16,20,27-31H,4-6,17-19,21-23H2,1-3H3
InChIKey LLNNSWNLNKRGDX-UHFFFAOYSA-N
Mol Weight 533.7 g/mol
Molecular Formula C33H43NO5
Exact Mass 533.314123 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3ABgNVIeemF
Name (4AR, 5S,6S,7S)-2-benzyl-6-benzyloxy-7-(2-ethyl-hexanoyloxy)-1,2,3,4,4a,5,6,7-octahydro-5-methoxycarbonyl-1(2H)-isoquinol
Comments ISOMER 2 HIGH FIELD SHIFTS
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C33H43NO5
InChI InChI=1S/C33H43NO5/c1-4-6-17-27(5-2)39-32(35)29-20-26-22-34(21-24-13-9-7-10-14-24)19-18-28(26)30(33(36)37-3)31(29)38-23-25-15-11-8-12-16-25/h7-16,20,27-31H,4-6,17-19,21-23H2,1-3H3
InChIKey LLNNSWNLNKRGDX-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