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3-BETA-ACETOXY-16-BETA-[4-(4-FLUOROPHENYL)-1H-1,2,3-TRIAZOL-1-YLMETHYL]-ANDROST-5-EN-17-BETA-OL
SpectraBase Compound ID IRur0WYsCUm
InChI InChI=1S/C30H38FN3O3/c1-18(35)37-23-10-12-29(2)21(15-23)6-9-24-25(29)11-13-30(3)26(24)14-20(28(30)36)16-34-17-27(32-33-34)19-4-7-22(31)8-5-19/h4-8,17,20,23-26,28,36H,9-16H2,1-3H3/t20-,23+,24-,25+,26+,28+,29+,30+/m1/s1
InChIKey UIKQCTDNZGITME-RAEVXBBGSA-N
Mol Weight 507.7 g/mol
Molecular Formula C30H38FN3O3
Exact Mass 507.28972 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LioRxK9Qmpw
Name 3-BETA-ACETOXY-16-BETA-[4-(4-FLUOROPHENYL)-1H-1,2,3-TRIAZOL-1-YLMETHYL]-ANDROST-5-EN-17-BETA-OL
Compound Number 6G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H38FN3O3
InChI InChI=1S/C30H38FN3O3/c1-18(35)37-23-10-12-29(2)21(15-23)6-9-24-25(29)11-13-30(3)26(24)14-20(28(30)36)16-34-17-27(32-33-34)19-4-7-22(31)8-5-19/h4-8,17,20,23-26,28,36H,9-16H2,1-3H3/t20-,23+,24-,25+,26+,28+,29+,30+/m1/s1
InChIKey UIKQCTDNZGITME-RAEVXBBGSA-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 507.648 g/mol
Sample ID 288
Solvent CD3OD:CDCl3