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17-ALPHA-[(N-5-AZIDO-2-NITRO-3,4,6-TRIFLUOROPHENYL)-AMINOPROPYL]-5-ALPHA-ANDROSTANE-3-BETA,17-BETA-DIOL
SpectraBase Compound ID 7MXB1x7Xzt3
InChI InChI=1S/2C28H38F3N5O4/c2*1-26-10-6-16(37)14-15(26)4-5-17-18(26)7-11-27(2)19(17)8-12-28(27,38)9-3-13-33-24-22(31)23(34-35-32)20(29)21(30)25(24)36(39)40/h2*15-19,33,37-38H,3-14H2,1-2H3/t2*15-,16-,17+,18-,19-,26-,27-,28-/m00/s1
InChIKey HKMPXCNSUXZGFR-JUWMARPNSA-N
Mol Weight 1131.3 g/mol
Molecular Formula C56H76F6N10O8
Exact Mass 1130.575178 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6UwMduHjWUO
Name 17-ALPHA-[(N-5-AZIDO-2-NITRO-3,4,6-TRIFLUOROPHENYL)-AMINOPROPYL]-5-ALPHA-ANDROSTANE-3-BETA,17-BETA-DIOL
Compound Number 34
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C56H76F6N10O8
InChI InChI=1S/2C28H38F3N5O4/c2*1-26-10-6-16(37)14-15(26)4-5-17-18(26)7-11-27(2)19(17)8-12-28(27,38)9-3-13-33-24-22(31)23(34-35-32)20(29)21(30)25(24)36(39)40/h2*15-19,33,37-38H,3-14H2,1-2H3/t2*15-,16-,17+,18-,19-,26-,27-,28-/m00/s1
InChIKey HKMPXCNSUXZGFR-JUWMARPNSA-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 1131.272 g/mol
Sample ID 968739
Solvent C5D5N