John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=2VGcHdYzozw SpectraBase Spectrum ID=1kKXriGVEv9

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17-ALPHA-[(N-5-AZIDO-2-NITRO-3,4,6-TRIFLUOROPHENYL)-AMINOMETHYL]-3,3-DIMETHOXY-5-ALPHA-ANDROSTAN-17-BETA-OL
SpectraBase Compound ID 2VGcHdYzozw
InChI InChI=1S/2C28H38F3N5O5/c2*1-25-11-12-28(40-3,41-4)13-15(25)5-6-16-17(25)7-9-26(2)18(16)8-10-27(26,37)14-33-23-21(31)22(34-35-32)19(29)20(30)24(23)36(38)39/h2*15-18,33,37H,5-14H2,1-4H3/t2*15-,16+,17-,18-,25-,26-,27+/m00/s1
InChIKey VVQUECGNAHEJJR-JUHJRCNGSA-N
Mol Weight 1163.3 g/mol
Molecular Formula C56H76F6N10O10
Exact Mass 1162.565009 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1kKXriGVEv9
Name 17-ALPHA-[(N-5-AZIDO-2-NITRO-3,4,6-TRIFLUOROPHENYL)-AMINOMETHYL]-3,3-DIMETHOXY-5-ALPHA-ANDROSTAN-17-BETA-OL
Compound Number 26
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C56H76F6N10O10
InChI InChI=1S/2C28H38F3N5O5/c2*1-25-11-12-28(40-3,41-4)13-15(25)5-6-16-17(25)7-9-26(2)18(16)8-10-27(26,37)14-33-23-21(31)22(34-35-32)19(29)20(30)24(23)36(38)39/h2*15-18,33,37H,5-14H2,1-4H3/t2*15-,16+,17-,18-,25-,26-,27+/m00/s1
InChIKey VVQUECGNAHEJJR-JUHJRCNGSA-N
Literature Reference Author E.MAPPUS,C.CHAMBON,B.FENET,M.R.DERAVEL,C.GRENOT,C.Y.CUILLERO N
Literature Reference Citation STEROIDS,65,459(2000)
Molecular Weight 1163.271 g/mol
Sample ID 968722
Solvent CDCl3
SpectraBase Batch ID 2Ftq8gmuAck