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4-(TRIFLUOROMETHYLSULFONYLOXY)-PROGESTERONE

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4-(TRIFLUOROMETHYLSULFONYLOXY)-PROGESTERONE
SpectraBase Compound ID KpgAghrUdt5
InChI InChI=1S/C22H29F3O5S/c1-12(26)14-6-7-15-13-4-5-17-19(30-31(28,29)22(23,24)25)18(27)9-11-21(17,3)16(13)8-10-20(14,15)2/h13-16H,4-11H2,1-3H3/t13-,14+,15-,16-,20+,21+/m0/s1
InChIKey UYGXGDJOVOQOPC-QCGOMIHKSA-N
Mol Weight 462.52 g/mol
Molecular Formula C22H29F3O5S
Exact Mass 462.16878 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4rrZeDHnI4i
Name 4-(TRIFLUOROMETHYLSULFONYLOXY)-PROGESTERONE
Compound Number 11A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H29F3O5S
InChI InChI=1S/C22H29F3O5S/c1-12(26)14-6-7-15-13-4-5-17-19(30-31(28,29)22(23,24)25)18(27)9-11-21(17,3)16(13)8-10-20(14,15)2/h13-16H,4-11H2,1-3H3/t13-,14+,15-,16-,20+,21+/m0/s1
InChIKey UYGXGDJOVOQOPC-QCGOMIHKSA-N
Literature Reference Author M.HAASE-HELD,M.HATZIS,J.MANN
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2907(1993)
Literature Reference DOI 10.1039/p19930002907
Molecular Weight 462.524 g/mol
Solvent CDCl3
Source File Reference UWCS18949