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17.beta.-Hydroxy-4-propyl-3,4-seco-5-androsten-3-oic acid methyl ester

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

17.beta.-Hydroxy-4-propyl-3,4-seco-5-androsten-3-oic acid methyl ester
SpectraBase Compound ID HDImC2tHyPe
InChI InChI=1S/C23H38O3/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/h8,17-20,24H,5-7,9-15H2,1-4H3
InChIKey KQBUQCPUDMSAKO-UHFFFAOYSA-N
Mol Weight 362.6 g/mol
Molecular Formula C23H38O3
Exact Mass 362.282095 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HycUYwOFmu2
Name 17.beta.-Hydroxy-4-propyl-3,4-seco-5-androsten-3-oic acid methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 362.282095081 u
Formula C23H38O3
InChI InChI=1S/C23H38O3/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/h8,17-20,24H,5-7,9-15H2,1-4H3
InChIKey KQBUQCPUDMSAKO-UHFFFAOYSA-N
Molecular Weight 362.554 g/mol
SMILES C(CC1(C(=CCC2C1CCC1(C2CCC1O)C)CCCC)C)C(OC)=O