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20-OXO-5-BETA-PREGNAN-3-ALPHA-YL-N-(PENTAFLUOROBENZOYL)-L-GLUTAMATE
SpectraBase Compound ID IJZR6xaCoLI
InChI InChI=1S/C33H40F5NO6/c1-15(40)19-6-7-20-18-5-4-16-14-17(10-12-32(16,2)21(18)11-13-33(19,20)3)45-31(44)22(8-9-23(41)42)39-30(43)24-25(34)27(36)29(38)28(37)26(24)35/h16-22H,4-14H2,1-3H3,(H,39,43)(H,41,42)/t16-,17-,18+,19-,20+,21+,22+,32+,33-/m1/s1
InChIKey GZMRFNSKGLAGPW-OCNBHKEMSA-N
Mol Weight 641.7 g/mol
Molecular Formula C33H40F5NO6
Exact Mass 641.277579 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7CYRijSuwrK
Name 20-OXO-5-BETA-PREGNAN-3-ALPHA-YL-N-(PENTAFLUOROBENZOYL)-L-GLUTAMATE
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H40F5NO6
InChI InChI=1S/C33H40F5NO6/c1-15(40)19-6-7-20-18-5-4-16-14-17(10-12-32(16,2)21(18)11-13-33(19,20)3)45-31(44)22(8-9-23(41)42)39-30(43)24-25(34)27(36)29(38)28(37)26(24)35/h16-22H,4-14H2,1-3H3,(H,39,43)(H,41,42)/t16-,17-,18+,19-,20+,21+,22+,32+,33-/m1/s1
InChIKey GZMRFNSKGLAGPW-OCNBHKEMSA-N
Literature Reference Author I.CERNY,M.BUDESINSKY,V.POUZAR,V.VYKLICKY,B.KRAUSOVA,L.VYKLIC KY
Literature Reference Citation STEROIDS,77,1233(2012)
Literature Reference DOI 10.1016/j.steroids.2012.07.004
Solvent CDCl3
Source File Reference UWLU70708