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3Beta-hydroxy-5alpha-androstane-1,17-dione

View entire compound with spectra: 2 NMR, and 2 FTIR

3Beta-hydroxy-5alpha-androstane-1,17-dione
SpectraBase Compound ID BYnvj8OEnR
InChI InChI=1S/C19H28O3/c1-18-8-7-15-13(14(18)5-6-16(18)21)4-3-11-9-12(20)10-17(22)19(11,15)2/h11-15,20H,3-10H2,1-2H3/t11-,12+,13-,14-,15-,18-,19-/m0/s1
InChIKey UCJPHSRIWNBOPQ-ALDPWJMPSA-N
Mol Weight 304.43 g/mol
Molecular Formula C19H28O3
Exact Mass 304.203845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BRsWKjDNbqI
Name 3Beta-hydroxy-5alpha-androstane-1,17-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 304.203844759 u
Formula C19H28O3
InChI InChI=1S/C19H28O3/c1-18-8-7-15-13(14(18)5-6-16(18)21)4-3-11-9-12(20)10-17(22)19(11,15)2/h11-15,20H,3-10H2,1-2H3/t11-,12+,13-,14-,15-,18-,19-/m0/s1
InChIKey UCJPHSRIWNBOPQ-ALDPWJMPSA-N
SMILES O[C@@]1(C[C@]2([C@](C(C1)=O)([C@@]1([C@@](CC2)([C@]2([C@](CC1)(C(CC2)=O)C)[H])[H])[H])C)[H])[H]