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17-ALPHA-[(N-5-AZIDO-2-NITRO-3,4,6-TRIFLUOROPHENYL)-AMINOETHYL]-5-ALPHA-ANDROSTANE-3-BETA,17-BETA-DIOL
SpectraBase Compound ID 4UkcaOQXW0K
InChI InChI=1S/2C27H36F3N5O4/c2*1-25-8-5-15(36)13-14(25)3-4-16-17(25)6-9-26(2)18(16)7-10-27(26,37)11-12-32-23-21(30)22(33-34-31)19(28)20(29)24(23)35(38)39/h2*14-18,32,36-37H,3-13H2,1-2H3/t2*14-,15-,16+,17-,18-,25-,26-,27+/m00/s1
InChIKey GZPPJXBOWPSIKS-NVYNWHOUSA-N
Mol Weight 1103.2 g/mol
Molecular Formula C54H72F6N10O8
Exact Mass 1102.543878 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FsGRotWq3xY
Name 17-ALPHA-[(N-5-AZIDO-2-NITRO-3,4,6-TRIFLUOROPHENYL)-AMINOETHYL]-5-ALPHA-ANDROSTANE-3-BETA,17-BETA-DIOL
Compound Number 31
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H72F6N10O8
InChI InChI=1S/2C27H36F3N5O4/c2*1-25-8-5-15(36)13-14(25)3-4-16-17(25)6-9-26(2)18(16)7-10-27(26,37)11-12-32-23-21(30)22(33-34-31)19(28)20(29)24(23)35(38)39/h2*14-18,32,36-37H,3-13H2,1-2H3/t2*14-,15-,16+,17-,18-,25-,26-,27+/m00/s1
InChIKey GZPPJXBOWPSIKS-NVYNWHOUSA-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 1103.218 g/mol
Sample ID 968738
Solvent C5D5N