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Androstan-17-one, 3-hydroxy-, (3.alpha.,5.beta.)-, 2-ethylbutyrate

View entire compound with spectra: 1 NMR

Androstan-17-one, 3-hydroxy-, (3.alpha.,5.beta.)-, 2-ethylbutyrate
SpectraBase Compound ID 5wVJngy5NMj
InChI InChI=1S/C25H40O3/c1-5-16(6-2)23(27)28-18-11-13-24(3)17(15-18)7-8-19-20-9-10-22(26)25(20,4)14-12-21(19)24/h16-21H,5-15H2,1-4H3
InChIKey JXQLVDIAXGREQW-UHFFFAOYSA-N
Mol Weight 388.6 g/mol
Molecular Formula C25H40O3
Exact Mass 388.297745 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DlW71EYdRxX
Name Androstan-17-one, 3-hydroxy-, (3.alpha.,5.beta.)-, 2-ethylbutyrate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 388.297745145 u
Formula C25H40O3
InChI InChI=1S/C25H40O3/c1-5-16(6-2)23(27)28-18-11-13-24(3)17(15-18)7-8-19-20-9-10-22(26)25(20,4)14-12-21(19)24/h16-21H,5-15H2,1-4H3
InChIKey JXQLVDIAXGREQW-UHFFFAOYSA-N
Molecular Weight 388.592 g/mol
SMILES C1CC2(C(CC1OC(C(CC)CC)=O)CCC1C2CCC2(C1CCC2=O)C)C