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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-methoxymethoxymethyl-1(2H)-is

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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-methoxymethoxymethyl-1(2H)-is
SpectraBase Compound ID 4RFcKsg4SIx
InChI InChI=1S/C28H43NO6/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/h8-12,21-26H,5-7,13-19H2,1-4H3
InChIKey UCASQNLXVQIIKU-UHFFFAOYSA-N
Mol Weight 489.7 g/mol
Molecular Formula C28H43NO6
Exact Mass 489.309038 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 41wrregqNFk
Name (4AR, 5S,6S,7S,8aS)-2-benzyl-7-(2-ethyl-hexanoyloxy-3,4,4a,5,6,7,8,8a-octahydro-6-methoxy-5-methoxymethoxymethyl-1(2H)-is
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Formula C28H43NO6
InChI InChI=1S/C28H43NO6/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/h8-12,21-26H,5-7,13-19H2,1-4H3
InChIKey UCASQNLXVQIIKU-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