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Methyl (1S,4as,8ar)-5-(2-{2-[(1-methoxycarbonyl-2-methylpropyl)[(E)-1-oxobut-2-en-1-yl]aminomethyl]furan-3-yl}ethyl)-1,4,6-trimethyl-1,2,3,4,4A,7,8,8A-octahydronaphthalene-1-carboxylate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Methyl (1S,4as,8ar)-5-(2-{2-[(1-methoxycarbonyl-2-methylpropyl)[(E)-1-oxobut-2-en-1-yl]aminomethyl]furan-3-yl}ethyl)-1,4,6-trimethyl-1,2,3,4,4A,7,8,8A-octahydronaphthalene-1-carboxylate
SpectraBase Compound ID 9lvG5xSePO0
InChI InChI=1S/C32H47NO6/c1-9-11-27(34)33(28(21(2)3)29(35)37-7)20-25-23(16-19-39-25)13-14-24-22(4)12-15-26-31(24,5)17-10-18-32(26,6)30(36)38-8/h9,11,16,19,21,26,28H,10,12-15,17-18,20H2,1-8H3/b11-9+/t26-,28?,31-,32+/m1/s1
InChIKey YTNJUKVDLFNFPB-FSGDESLDSA-N
Mol Weight 541.7 g/mol
Molecular Formula C32H47NO6
Exact Mass 541.340338 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5MKBmtkLbVE
Name Methyl (1S,4as,8ar)-5-(2-{2-[(1-methoxycarbonyl-2-methylpropyl)[(E)-1-oxobut-2-en-1-yl]aminomethyl]furan-3-yl}ethyl)-1,4,6-trimethyl-1,2,3,4,4A,7,8,8A-octahydronaphthalene-1-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 541.340338231 u
Formula C32H47NO6
InChI InChI=1S/C32H47NO6/c1-9-11-27(34)33(28(21(2)3)29(35)37-7)20-25-23(16-19-39-25)13-14-24-22(4)12-15-26-31(24,5)17-10-18-32(26,6)30(36)38-8/h9,11,16,19,21,26,28H,10,12-15,17-18,20H2,1-8H3/b11-9+/t26-,28?,31-,32+/m1/s1
InChIKey YTNJUKVDLFNFPB-FSGDESLDSA-N
Molecular Weight 541.729 g/mol
SMILES [C@@]12(C(=C(C)CC[C@]2([C@](C(=O)OC)(C)CCC1)[H])CCC1=C(CN(C(\C=C\C)=O)C(C(=O)OC)C(C)C)OC=C1)C