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2-BETA,3-ALPHA,21-TRIHYDROXY-4-PREGNEN-20-ONE
SpectraBase Compound ID FCZBcDfrjBa
InChI InChI=1S/C21H32O4/c1-20-8-7-15-13(14(20)5-6-16(20)19(25)11-22)4-3-12-9-17(23)18(24)10-21(12,15)2/h9,13-18,22-24H,3-8,10-11H2,1-2H3/t13-,14-,15-,16+,17-,18-,20-,21-/m0/s1
InChIKey ZQPBNKLHDNPHCH-MVOJFTAWSA-N
Mol Weight 348.5 g/mol
Molecular Formula C21H32O4
Exact Mass 348.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3fblIvNMSW4
Name 2-BETA,3-ALPHA,21-TRIHYDROXY-4-PREGNEN-20-ONE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H32O4
InChI InChI=1S/C21H32O4/c1-20-8-7-15-13(14(20)5-6-16(20)19(25)11-22)4-3-12-9-17(23)18(24)10-21(12,15)2/h9,13-18,22-24H,3-8,10-11H2,1-2H3/t13-,14-,15-,16+,17-,18-,20-,21-/m0/s1
InChIKey ZQPBNKLHDNPHCH-MVOJFTAWSA-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 348.483 g/mol
Sample ID 70731
Solvent CDCl3