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Propanedioic acid monoamide, N-[1-(1,2,3,4,4A,9,10,10A-octahydro-1,4A-dimethyl-7-isopropylphenanthren-1-yl)methyl]-2-methyl-, methyl ester

View entire compound with spectra: 1 NMR

Propanedioic acid monoamide, N-[1-(1,2,3,4,4A,9,10,10A-octahydro-1,4A-dimethyl-7-isopropylphenanthren-1-yl)methyl]-2-methyl-, methyl ester
SpectraBase Compound ID JhetZBpUXPL
InChI InChI=1S/C25H37NO3/c1-16(2)18-8-10-20-19(14-18)9-11-21-24(4,12-7-13-25(20,21)5)15-26-22(27)17(3)23(28)29-6/h8,10,14,16-17,21H,7,9,11-13,15H2,1-6H3,(H,26,27)
InChIKey SMFRVEDTZJVSCP-UHFFFAOYSA-N
Mol Weight 399.6 g/mol
Molecular Formula C25H37NO3
Exact Mass 399.277344 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JPBfI9iOz3U
Name Propanedioic acid monoamide, N-[1-(1,2,3,4,4A,9,10,10A-octahydro-1,4A-dimethyl-7-isopropylphenanthren-1-yl)methyl]-2-methyl-, methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 399.277344052 u
Formula C25H37NO3
InChI InChI=1S/C25H37NO3/c1-16(2)18-8-10-20-19(14-18)9-11-21-24(4,12-7-13-25(20,21)5)15-26-22(27)17(3)23(28)29-6/h8,10,14,16-17,21H,7,9,11-13,15H2,1-6H3,(H,26,27)
InChIKey SMFRVEDTZJVSCP-UHFFFAOYSA-N
Molecular Weight 399.575 g/mol
SMILES C1C2C(C=3C(C1)=CC(=CC3)C(C)C)(CCCC2(CNC(C(C(OC)=O)C)=O)C)C