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

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(4AR, 5S,6S,7S)-2-benzyl-7-(2-ethyl-hexanoyloxy-3,4,4a,5,6,7-hexahydro-6-methoxy-5-methoxymethoxymethyl-1(2H)-isoquinolon
SpectraBase Compound ID 95ABsxdMjiY
InChI InChI=1S/C28H41NO6/c1-5-7-13-21(6-2)28(31)35-25-16-23-22(24(26(25)33-4)18-34-19-32-3)14-15-29(27(23)30)17-20-11-9-8-10-12-20/h8-12,16,21-22,24-26H,5-7,13-15,17-19H2,1-4H3
InChIKey AGQGJJYERFESTR-UHFFFAOYSA-N
Mol Weight 487.6 g/mol
Molecular Formula C28H41NO6
Exact Mass 487.293388 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kig9pma82xr
Name (4AR, 5S,6S,7S)-2-benzyl-7-(2-ethyl-hexanoyloxy-3,4,4a,5,6,7-hexahydro-6-methoxy-5-methoxymethoxymethyl-1(2H)-isoquinolon
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Formula C28H41NO6
InChI InChI=1S/C28H41NO6/c1-5-7-13-21(6-2)28(31)35-25-16-23-22(24(26(25)33-4)18-34-19-32-3)14-15-29(27(23)30)17-20-11-9-8-10-12-20/h8-12,16,21-22,24-26H,5-7,13-15,17-19H2,1-4H3
InChIKey AGQGJJYERFESTR-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