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

View entire compound with spectra: 1 NMR

(4AR, 5S,6S,7S)-2-benzyl-6-benzyloxy-7-(2-ethyl-hexanoyloxy)-3,4,4a,5,6,7-hexahydro-5-methoxymethoxymethyl-1(2H)-isoquino
SpectraBase Compound ID 6c8YxPQSK0O
InChI InChI=1S/C34H45NO6/c1-4-6-17-27(5-2)41-34(37)30-20-29-28(18-19-35(33(29)36)21-25-13-9-7-10-14-25)31(23-39-24-38-3)32(30)40-22-26-15-11-8-12-16-26/h7-16,20,27-28,30-32H,4-6,17-19,21-24H2,1-3H3
InChIKey PQGBVBSUBKMMGY-UHFFFAOYSA-N
Mol Weight 563.7 g/mol
Molecular Formula C34H45NO6
Exact Mass 563.324688 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IPaKG7a3Ddd
Name (4AR, 5S,6S,7S)-2-benzyl-6-benzyloxy-7-(2-ethyl-hexanoyloxy)-3,4,4a,5,6,7-hexahydro-5-methoxymethoxymethyl-1(2H)-isoquino
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Formula C34H45NO6
InChI InChI=1S/C34H45NO6/c1-4-6-17-27(5-2)41-34(37)30-20-29-28(18-19-35(33(29)36)21-25-13-9-7-10-14-25)31(23-39-24-38-3)32(30)40-22-26-15-11-8-12-16-26/h7-16,20,27-28,30-32H,4-6,17-19,21-24H2,1-3H3
InChIKey PQGBVBSUBKMMGY-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