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3-BETA,21-DIHYDROXY-5-ALPHA-PREGNAN-20-ONE
SpectraBase Compound ID DKx9nLssZPL
InChI InChI=1S/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13-,14-,15-,16-,17-,18+,20-,21-/m0/s1
InChIKey CYKYBWRSLLXBOW-VTBMCCKRSA-N
Mol Weight 334.5 g/mol
Molecular Formula C21H34O3
Exact Mass 334.250795 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CANKILjL9Q6
Name 3-BETA,21-DIHYDROXY-5-ALPHA-PREGNAN-20-ONE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H34O3
InChI InChI=1S/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13-,14-,15-,16-,17-,18+,20-,21-/m0/s1
InChIKey CYKYBWRSLLXBOW-VTBMCCKRSA-N
Literature Reference Author R.M.DEPADUA,N.MEITINGER,J.D.D.S.FILHO,R.WAIBEL,P.GMEINER,F.C .BRAGA,W.KREIS
Literature Reference Citation STEROIDS,77,1373(2012)
Literature Reference DOI 10.1016/j.steroids.2012.07.016
Molecular Weight 334.499 g/mol
Sample ID 70728
Solvent CDCl3