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Trans-androsterone, 2-methylpropionate
SpectraBase Compound ID Hno0T8YpWEV
InChI InChI=1S/C23H36O3/c1-14(2)21(25)26-16-9-11-22(3)15(13-16)5-6-17-18-7-8-20(24)23(18,4)12-10-19(17)22/h14-19H,5-13H2,1-4H3/t15-,16-,17-,18-,19-,22-,23-/m0/s1
InChIKey JWTSEKVTEOYTJC-BOPJXXHASA-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 Iv3VZt8ExIm
Name Trans-androsterone, 2-methylpropionate
Comments Computed using HOSE algorithm
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Exact Mass 360.266445016 u
Formula C23H36O3
InChI InChI=1S/C23H36O3/c1-14(2)21(25)26-16-9-11-22(3)15(13-16)5-6-17-18-7-8-20(24)23(18,4)12-10-19(17)22/h14-19H,5-13H2,1-4H3/t15-,16-,17-,18-,19-,22-,23-/m0/s1
InChIKey JWTSEKVTEOYTJC-BOPJXXHASA-N
Molecular Weight 360.538 g/mol
SMILES [C@]12([C@@]3([C@]([C@]4([C@@](C(CC4)=O)(CC3)C)[H])(CC[C@]1(C[C@](CC2)(OC(C(C)C)=O)[H])[H])[H])[H])C