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(4AR, 5S,6S,7S,8aS)-2-benzyl-7-(2-ethyl-hexanoyloxy-3,4,4a,5,6,7,8,8a-octahydro-6-methoxy-5-hydroxymethyl-1(2H)-isoquinol

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(4AR, 5S,6S,7S,8aS)-2-benzyl-7-(2-ethyl-hexanoyloxy-3,4,4a,5,6,7,8,8a-octahydro-6-methoxy-5-hydroxymethyl-1(2H)-isoquinol
SpectraBase Compound ID B4bYkXAXoGp
InChI InChI=1S/C26H39NO5/c1-4-6-12-19(5-2)26(30)32-23-15-21-20(22(17-28)24(23)31-3)13-14-27(25(21)29)16-18-10-8-7-9-11-18/h7-11,19-24,28H,4-6,12-17H2,1-3H3
InChIKey LLPOMSHLCFOAFW-UHFFFAOYSA-N
Mol Weight 445.6 g/mol
Molecular Formula C26H39NO5
Exact Mass 445.282823 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FHxsGgMEmrA
Name (4AR, 5S,6S,7S,8aS)-2-benzyl-7-(2-ethyl-hexanoyloxy-3,4,4a,5,6,7,8,8a-octahydro-6-methoxy-5-hydroxymethyl-1(2H)-isoquinol
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Formula C26H39NO5
InChI InChI=1S/C26H39NO5/c1-4-6-12-19(5-2)26(30)32-23-15-21-20(22(17-28)24(23)31-3)13-14-27(25(21)29)16-18-10-8-7-9-11-18/h7-11,19-24,28H,4-6,12-17H2,1-3H3
InChIKey LLPOMSHLCFOAFW-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