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5-Dehydro-epi-androsterone isocaproate

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

5-Dehydro-epi-androsterone isocaproate
SpectraBase Compound ID 2Jfdm5ysGID
InChI InChI=1S/C25H38O3/c1-16(2)5-10-23(27)28-18-11-13-24(3)17(15-18)6-7-19-20-8-9-22(26)25(20,4)14-12-21(19)24/h6,16,18-21H,5,7-15H2,1-4H3
InChIKey OQCYGRNEHCUDOG-UHFFFAOYSA-N
Mol Weight 386.6 g/mol
Molecular Formula C25H38O3
Exact Mass 386.282095 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AcqIvo7ZU0S
Name 5-Dehydro-epi-androsterone isocaproate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 386.282095081 u
Formula C25H38O3
InChI InChI=1S/C25H38O3/c1-16(2)5-10-23(27)28-18-11-13-24(3)17(15-18)6-7-19-20-8-9-22(26)25(20,4)14-12-21(19)24/h6,16,18-21H,5,7-15H2,1-4H3
InChIKey OQCYGRNEHCUDOG-UHFFFAOYSA-N
Molecular Weight 386.576 g/mol
SMILES C1(CCC2(C(C1)=CCC1C2CCC2(C1CCC2=O)C)C)OC(=O)CCC(C)C