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3-BETA-ACETOXY-16-BETA-[4-(4-TERT.-BUTYLPHENYL)-1H-1,2,3-TRIAZOL-1-YLMETHYL]-ANDROST-5-EN-17-BETA-OL
SpectraBase Compound ID 5APqLl7fsdj
InChI InChI=1S/C34H47N3O3/c1-21(38)40-26-13-15-33(5)25(18-26)11-12-27-28(33)14-16-34(6)29(27)17-23(31(34)39)19-37-20-30(35-36-37)22-7-9-24(10-8-22)32(2,3)4/h7-11,20,23,26-29,31,39H,12-19H2,1-6H3/t23-,26+,27-,28+,29+,31+,33+,34+/m1/s1
InChIKey WQHVOEKRQQWSBO-CGCOXUHLSA-N
Mol Weight 545.8 g/mol
Molecular Formula C34H47N3O3
Exact Mass 545.361742 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7K5glYbKxQM
Name 3-BETA-ACETOXY-16-BETA-[4-(4-TERT.-BUTYLPHENYL)-1H-1,2,3-TRIAZOL-1-YLMETHYL]-ANDROST-5-EN-17-BETA-OL
Compound Number 6D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H47N3O3
InChI InChI=1S/C34H47N3O3/c1-21(38)40-26-13-15-33(5)25(18-26)11-12-27-28(33)14-16-34(6)29(27)17-23(31(34)39)19-37-20-30(35-36-37)22-7-9-24(10-8-22)32(2,3)4/h7-11,20,23,26-29,31,39H,12-19H2,1-6H3/t23-,26+,27-,28+,29+,31+,33+,34+/m1/s1
InChIKey WQHVOEKRQQWSBO-CGCOXUHLSA-N
Literature Reference Author Z.KADAR,D.KOVACS,E.FRANK,G.SCHNEIDER,J.HIBER,I.ZUPKO,T.BARTO K,J.WOELFLING
Literature Reference Citation MOLECULES,16,4786(2011)
Literature Reference DOI 10.3390/molecules16064786
Molecular Weight 545.765 g/mol
Sample ID 286
Solvent CDCl3