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3-BETA-ACETOXY-16-BETA-[4-(4-ETHYLPHENYL)-1H-1,2,3-TRIAZOL-1-YLMETHYL]-ANDROST-5-EN-17-BETA-OL
SpectraBase Compound ID Dta1LvtqgV
InChI InChI=1S/C32H43N3O3/c1-5-21-6-8-22(9-7-21)29-19-35(34-33-29)18-23-16-28-26-11-10-24-17-25(38-20(2)36)12-14-31(24,3)27(26)13-15-32(28,4)30(23)37/h6-10,19,23,25-28,30,37H,5,11-18H2,1-4H3/t23-,25+,26-,27+,28+,30+,31+,32+/m1/s1
InChIKey XJAHUZSTFAZMNK-RNNOINMMSA-N
Mol Weight 517.7 g/mol
Molecular Formula C32H43N3O3
Exact Mass 517.330442 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 796hWI30EBi
Name 3-BETA-ACETOXY-16-BETA-[4-(4-ETHYLPHENYL)-1H-1,2,3-TRIAZOL-1-YLMETHYL]-ANDROST-5-EN-17-BETA-OL
Compound Number 6 B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H43N3O3
InChI InChI=1S/C32H43N3O3/c1-5-21-6-8-22(9-7-21)29-19-35(34-33-29)18-23-16-28-26-11-10-24-17-25(38-20(2)36)12-14-31(24,3)27(26)13-15-32(28,4)30(23)37/h6-10,19,23,25-28,30,37H,5,11-18H2,1-4H3/t23-,25+,26-,27+,28+,30+,31+,32+/m1/s1
InChIKey XJAHUZSTFAZMNK-RNNOINMMSA-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 517.712 g/mol
Sample ID 284
Solvent CDCl3