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10-BETA-FLUORO-3-OXO-1,4-ESTRADIEN-16-ALPHA,17-BETA-DIOL-16,17-DIACETATE
SpectraBase Compound ID 18Zc57frPnI
InChI InChI=1S/C22H27FO5/c1-12(24)27-19-11-18-16-5-4-14-10-15(26)6-9-22(14,23)17(16)7-8-21(18,3)20(19)28-13(2)25/h6,9-10,16-20H,4-5,7-8,11H2,1-3H3/t16?,17?,18?,19?,20?,21?,22-/m1/s1
InChIKey LLLHUBXXXZKPEH-CPGVEKMWSA-N
Mol Weight 390.45 g/mol
Molecular Formula C22H27FO5
Exact Mass 390.184252 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7MjJM476im8
Name 10-BETA-FLUORO-3-OXO-1,4-ESTRADIEN-16-ALPHA,17-BETA-DIOL-16,17-DIACETATE
CAS Registry Number 138054-65-6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H27FO5
InChI InChI=1S/C22H27FO5/c1-12(24)27-19-11-18-16-5-4-14-10-15(26)6-9-22(14,23)17(16)7-8-21(18,3)20(19)28-13(2)25/h6,9-10,16-20H,4-5,7-8,11H2,1-3H3/t16?,17?,18?,19?,20?,21?,22-/m1/s1
InChIKey LLLHUBXXXZKPEH-CPGVEKMWSA-N
Literature Reference Author W.T.PENNINGTON,G.RESNATI,D.D.DESMARTEAU
Literature Reference Citation J.ORG.CHEM.,57,1536(1992)
Literature Reference DOI 10.1021/jo00031a038
Molecular Weight 390.452 g/mol
Solvent CDCl3
Source File Reference UWCS142