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(4AR, 5S,6S,7S,8aS)-2-benzyl-7-(2-ethyl-hexanoyloxy-perhydro-isoquinoline

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(4AR, 5S,6S,7S,8aS)-2-benzyl-7-(2-ethyl-hexanoyloxy-perhydro-isoquinoline
SpectraBase Compound ID 9RGKuVshDP6
InChI InChI=1S/C27H41NO5/c1-5-7-13-20(6-2)26(29)33-23-16-21-18-28(17-19-11-9-8-10-12-19)15-14-22(21)24(25(23)31-3)27(30)32-4/h8-12,20-25H,5-7,13-18H2,1-4H3
InChIKey ZNRAGWKLZVPXPN-UHFFFAOYSA-N
Mol Weight 459.6 g/mol
Molecular Formula C27H41NO5
Exact Mass 459.298473 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 83B150ToqKh
Name (4AR, 5S,6S,7S,8aS)-2-benzyl-7-(2-ethyl-hexanoyloxy-perhydro-isoquinoline
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Formula C27H41NO5
InChI InChI=1S/C27H41NO5/c1-5-7-13-20(6-2)26(29)33-23-16-21-18-28(17-19-11-9-8-10-12-19)15-14-22(21)24(25(23)31-3)27(30)32-4/h8-12,20-25H,5-7,13-18H2,1-4H3
InChIKey ZNRAGWKLZVPXPN-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