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(4AR, 5S,6S,7S)-2-benzyl-6-benzyloxy-7-(2-ethyl-hexanoyloxy)-3,4,4a,5,6,7-hexahydro-5-methoxycarbonyl-1(2H)-isoquinolone
SpectraBase Compound ID 5dB6c4SZaTG
InChI InChI=1S/C33H41NO6/c1-4-6-17-25(5-2)40-32(36)28-20-27-26(18-19-34(31(27)35)21-23-13-9-7-10-14-23)29(33(37)38-3)30(28)39-22-24-15-11-8-12-16-24/h7-16,20,25-26,28-30H,4-6,17-19,21-22H2,1-3H3
InChIKey ACOGVFILBPUWJJ-UHFFFAOYSA-N
Mol Weight 547.7 g/mol
Molecular Formula C33H41NO6
Exact Mass 547.293388 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bk0tFGh0KnL
Name (4AR, 5S,6S,7S)-2-benzyl-6-benzyloxy-7-(2-ethyl-hexanoyloxy)-3,4,4a,5,6,7-hexahydro-5-methoxycarbonyl-1(2H)-isoquinolone
Comments ISOMER 2 HIGH FIELD SHIFTS
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C33H41NO6
InChI InChI=1S/C33H41NO6/c1-4-6-17-25(5-2)40-32(36)28-20-27-26(18-19-34(31(27)35)21-23-13-9-7-10-14-23)29(33(37)38-3)30(28)39-22-24-15-11-8-12-16-24/h7-16,20,25-26,28-30H,4-6,17-19,21-22H2,1-3H3
InChIKey ACOGVFILBPUWJJ-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