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Methyl 2-(4-{2-[(1S,4aS,8aR)-1-methoxycarbonyl)-1,4a,6-trimethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-5-yl]ethyl}-7-methyl-1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanoate

View entire compound with spectra: 1 MS (GC)

Methyl 2-(4-{2-[(1S,4aS,8aR)-1-methoxycarbonyl)-1,4a,6-trimethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-5-yl]ethyl}-7-methyl-1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanoate
SpectraBase Compound ID 6A1Z7ufPtUx
InChI InChI=1S/C32H45NO5/c1-19(2)22(5)38-30(36)33-18-24-23(12-10-21(4)27(24)28(33)34)13-14-25-20(3)11-15-26-31(25,6)16-9-17-32(26,7)29(35)37-8/h10,12,19,22,26H,9,11,13-18H2,1-8H3/t22?,26-,31-,32+/m1/s1
InChIKey LJTIFCLURPHAAW-XWJGQDTKSA-N
Mol Weight 523.7 g/mol
Molecular Formula C32H45NO5
Exact Mass 523.329774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AleFi1PDso7
Name Methyl 2-(4-{2-[(1S,4aS,8aR)-1-methoxycarbonyl)-1,4a,6-trimethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-5-yl]ethyl}-7-methyl-1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H45NO5
InChI InChI=1S/C32H45NO5/c1-19(2)22(5)38-30(36)33-18-24-23(12-10-21(4)27(24)28(33)34)13-14-25-20(3)11-15-26-31(25,6)16-9-17-32(26,7)29(35)37-8/h10,12,19,22,26H,9,11,13-18H2,1-8H3/t22?,26-,31-,32+/m1/s1
InChIKey LJTIFCLURPHAAW-XWJGQDTKSA-N
Molecular Weight 523.714 g/mol
SMILES C1(N(Cc2c(ccc(c12)C)CCC=1[C@@]2([C@@]([C@](C(=O)OC)(C)CCC2)([H])CCC1C)C)C(OC(C(C)C)C)=O)=O
SPLASH splash10-00xr-0090110000-5a975105e03c851752d0
Source of Spectrum O1-46-1881-22
Wiley ID 1669412