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3.alpha.-Hydroxy-5,16-androstadiene-17-carboxylic acid

View entire compound with spectra: 1 NMR

3.alpha.-Hydroxy-5,16-androstadiene-17-carboxylic acid
SpectraBase Compound ID FqVSFMUiqw8
InChI InChI=1S/C20H28O3/c1-19-9-7-13(21)11-12(19)3-4-14-15-5-6-17(18(22)23)20(15,2)10-8-16(14)19/h3,6,13-16,21H,4-5,7-11H2,1-2H3,(H,22,23)
InChIKey PMVFYJLNDAMKPJ-UHFFFAOYSA-N
Mol Weight 316.44 g/mol
Molecular Formula C20H28O3
Exact Mass 316.203845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dv27I4aSEon
Name 3.alpha.-Hydroxy-5,16-androstadiene-17-carboxylic acid
Comments Computed using HOSE algorithm
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Exact Mass 316.203844759 u
Formula C20H28O3
InChI InChI=1S/C20H28O3/c1-19-9-7-13(21)11-12(19)3-4-14-15-5-6-17(18(22)23)20(15,2)10-8-16(14)19/h3,6,13-16,21H,4-5,7-11H2,1-2H3,(H,22,23)
InChIKey PMVFYJLNDAMKPJ-UHFFFAOYSA-N
Molecular Weight 316.441 g/mol
SMILES C1(CCC2(C(C1)=CCC1C2CCC2(C1CC=C2C(O)=O)C)C)O