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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-, ethyl ester

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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-, ethyl ester
SpectraBase Compound ID AOfNCFCaViM
InChI InChI=1S/C26H39NO3/c1-7-30-24(29)18(4)23(28)27-16-25(5)13-8-14-26(6)21-11-9-19(17(2)3)15-20(21)10-12-22(25)26/h9,11,15,17-18,22H,7-8,10,12-14,16H2,1-6H3,(H,27,28)
InChIKey IBQIDRLFHMAHQU-UHFFFAOYSA-N
Mol Weight 413.6 g/mol
Molecular Formula C26H39NO3
Exact Mass 413.292994 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 83mNWp0hhb
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-, ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 413.292994117 u
Formula C26H39NO3
InChI InChI=1S/C26H39NO3/c1-7-30-24(29)18(4)23(28)27-16-25(5)13-8-14-26(6)21-11-9-19(17(2)3)15-20(21)10-12-22(25)26/h9,11,15,17-18,22H,7-8,10,12-14,16H2,1-6H3,(H,27,28)
InChIKey IBQIDRLFHMAHQU-UHFFFAOYSA-N
Molecular Weight 413.602 g/mol
SMILES C1C2C(C=3C(C1)=CC(=CC3)C(C)C)(CCCC2(CNC(C(C(OCC)=O)C)=O)C)C