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5-BETA-ANDROSTANE-3-ALPHA,17-BETA-DIYL-17-(4-AZIDOTETRAFLUOROBENZOATE)-3-(L-GLUTAMATE)

View entire compound with spectra: 1 NMR

5-BETA-ANDROSTANE-3-ALPHA,17-BETA-DIYL-17-(4-AZIDOTETRAFLUOROBENZOATE)-3-(L-GLUTAMATE)
SpectraBase Compound ID 90DBsGUdOlE
InChI InChI=1S/C31H38F4N4O6/c1-30-11-9-15(44-28(42)19(36)6-8-21(40)41)13-14(30)3-4-16-17-5-7-20(31(17,2)12-10-18(16)30)45-29(43)22-23(32)25(34)27(38-39-37)26(35)24(22)33/h14-20H,3-13,36H2,1-2H3,(H,40,41)/t14-,15-,16+,17+,18+,19+,20+,30+,31+/m1/s1
InChIKey VEOYSSWQKCLPDN-LAWYNKPISA-N
Mol Weight 638.7 g/mol
Molecular Formula C31H38F4N4O6
Exact Mass 638.272748 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5NH3gK9m82p
Name 5-BETA-ANDROSTANE-3-ALPHA,17-BETA-DIYL-17-(4-AZIDOTETRAFLUOROBENZOATE)-3-(L-GLUTAMATE)
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H38F4N4O6
InChI InChI=1S/C31H38F4N4O6/c1-30-11-9-15(44-28(42)19(36)6-8-21(40)41)13-14(30)3-4-16-17-5-7-20(31(17,2)12-10-18(16)30)45-29(43)22-23(32)25(34)27(38-39-37)26(35)24(22)33/h14-20H,3-13,36H2,1-2H3,(H,40,41)/t14-,15-,16+,17+,18+,19+,20+,30+,31+/m1/s1
InChIKey VEOYSSWQKCLPDN-LAWYNKPISA-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
Molecular Weight 638.660 g/mol
Sample ID 70705
Solvent CDCl3:CD3OD=10:1