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17-BETA-(N-BENZYL-4'-IMIDAZOLYL)-11-BETA-HYDROXY-4-ANDROSTEN-3-ONE
SpectraBase Compound ID 8T7V6KsBhkK
InChI InChI=1S/C29H36N2O2/c1-28-13-12-21(32)14-20(28)8-9-22-23-10-11-24(29(23,2)15-26(33)27(22)28)25-17-31(18-30-25)16-19-6-4-3-5-7-19/h3-7,14,17-18,22-24,26-27,33H,8-13,15-16H2,1-2H3/t22-,23-,24+,26-,27+,28-,29-/m0/s1
InChIKey GWVSOQZSMUDXML-CYAMZMHXSA-N
Mol Weight 444.6 g/mol
Molecular Formula C29H36N2O2
Exact Mass 444.277678 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BNGDro3Ky3Q
Name 17-BETA-(N-BENZYL-4'-IMIDAZOLYL)-11-BETA-HYDROXY-4-ANDROSTEN-3-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H36N2O2
InChI InChI=1S/C29H36N2O2/c1-28-13-12-21(32)14-20(28)8-9-22-23-10-11-24(29(23,2)15-26(33)27(22)28)25-17-31(18-30-25)16-19-6-4-3-5-7-19/h3-7,14,17-18,22-24,26-27,33H,8-13,15-16H2,1-2H3/t22-,23-,24+,26-,27+,28-,29-/m0/s1
InChIKey GWVSOQZSMUDXML-CYAMZMHXSA-N
Literature Reference Author J.P.GUTHRIE,P.A.CULLIMORE,R.S.MCDONALD,S.O'LEARY
Literature Reference Citation CAN.J.CHEM.,60,747(1982)
Literature Reference DOI 10.1139/v82-111
Molecular Weight 444.617 g/mol
Solvent CD3OD
Source File Reference UWED1355