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17-oxo-4-Propyl-3,4-seco-4-androsten-3-oic acid methyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

17-oxo-4-Propyl-3,4-seco-4-androsten-3-oic acid methyl ester
SpectraBase Compound ID Ce3OWTvqy09
InChI InChI=1S/C23H36O3/c1-5-6-7-16-8-9-17-18-10-11-20(24)23(18,3)14-12-19(17)22(16,2)15-13-21(25)26-4/h7,17-19H,5-6,8-15H2,1-4H3/b16-7+
InChIKey BPCJAURQJCCUMV-FRKPEAEDSA-N
Mol Weight 360.5 g/mol
Molecular Formula C23H36O3
Exact Mass 360.266445 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IiiSIJBLSBh
Name 17-oxo-4-Propyl-3,4-seco-4-androsten-3-oic acid methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.266445016 u
Formula C23H36O3
InChI InChI=1S/C23H36O3/c1-5-6-7-16-8-9-17-18-10-11-20(24)23(18,3)14-12-19(17)22(16,2)15-13-21(25)26-4/h7,17-19H,5-6,8-15H2,1-4H3/b16-7+
InChIKey BPCJAURQJCCUMV-FRKPEAEDSA-N
Molecular Weight 360.538 g/mol
SMILES C(CCC1(\C(=C\CCC)CCC2C1CCC1(C2CCC1=O)C)C)(OC)=O