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5-(2-Butenyl)-17-oxo-4-nor-3,5-seco-5.alpha.-androstan-3-oic acid, methyl ester

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5-(2-Butenyl)-17-oxo-4-nor-3,5-seco-5.alpha.-androstan-3-oic acid, methyl ester
SpectraBase Compound ID IeLEaSOK2Qj
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/h5-6,16-19H,7-15H2,1-4H3/b6-5+
InChIKey WTNBZILHODWPQP-AATRIKPKSA-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 Ap5ZQR1b6fl
Name 5-(2-Butenyl)-17-oxo-4-nor-3,5-seco-5.alpha.-androstan-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/h5-6,16-19H,7-15H2,1-4H3/b6-5+
InChIKey WTNBZILHODWPQP-AATRIKPKSA-N
Molecular Weight 360.538 g/mol
SMILES C(CCC1(C(C\C=C\C)CCC2C1CCC1(C2CCC1=O)C)C)(=O)OC