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acetic acid [(5R,6R,8S,9S,10R,13S,14S)-5-fluoro-17-keto-6-methoxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
SpectraBase Compound ID EnQRn78gCMJ
InChI InChI=1S/C22H33FO4/c1-13(24)27-14-7-10-21(3)17-8-9-20(2)16(5-6-18(20)25)15(17)11-19(26-4)22(21,23)12-14/h14-17,19H,5-12H2,1-4H3/t14?,15-,16-,17-,19+,20-,21+,22-/m0/s1
InChIKey BTIVNKJMTWHIMN-GYZHNMQRSA-N
Mol Weight 380.5 g/mol
Molecular Formula C22H33FO4
Exact Mass 380.236288 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dxp1KuCw8Ea
Name acetic acid [(5R,6R,8S,9S,10R,13S,14S)-5-fluoro-17-keto-6-methoxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
Compound Number 35
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H33FO4
InChI InChI=1S/C22H33FO4/c1-13(24)27-14-7-10-21(3)17-8-9-20(2)16(5-6-18(20)25)15(17)11-19(26-4)22(21,23)12-14/h14-17,19H,5-12H2,1-4H3/t14?,15-,16-,17-,19+,20-,21+,22-/m0/s1
InChIKey BTIVNKJMTWHIMN-GYZHNMQRSA-N
Literature Reference Author S.ROZEN,E.MISHANI,M.KOL,I.BEN-DAVID
Literature Reference Citation J.ORG.CHEM.,59,4281(1994)
Literature Reference DOI 10.1021/jo00094a047
Solvent CDCl3
Source File Reference UWCP6891