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3-BETA-ACETOXY-16-BETA-[4-(2-METHOXYPHENYL)-1H-1,2,3-TRIAZOL-1-YLMETHYL]-ANDROST-5-EN-17-BETA-OL
SpectraBase Compound ID 7TWJZQDU3pX
InChI InChI=1S/C31H41N3O4/c1-19(35)38-22-11-13-30(2)21(16-22)9-10-23-25(30)12-14-31(3)26(23)15-20(29(31)36)17-34-18-27(32-33-34)24-7-5-6-8-28(24)37-4/h5-9,18,20,22-23,25-26,29,36H,10-17H2,1-4H3/t20-,22+,23-,25+,26+,29+,30+,31+/m1/s1
InChIKey FNJMOZZYQKABHM-JTQWRUHWSA-N
Mol Weight 519.7 g/mol
Molecular Formula C31H41N3O4
Exact Mass 519.309707 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EYbU3n3SJcH
Name 3-BETA-ACETOXY-16-BETA-[4-(2-METHOXYPHENYL)-1H-1,2,3-TRIAZOL-1-YLMETHYL]-ANDROST-5-EN-17-BETA-OL
Compound Number 6F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H41N3O4
InChI InChI=1S/C31H41N3O4/c1-19(35)38-22-11-13-30(2)21(16-22)9-10-23-25(30)12-14-31(3)26(23)15-20(29(31)36)17-34-18-27(32-33-34)24-7-5-6-8-28(24)37-4/h5-9,18,20,22-23,25-26,29,36H,10-17H2,1-4H3/t20-,22+,23-,25+,26+,29+,30+,31+/m1/s1
InChIKey FNJMOZZYQKABHM-JTQWRUHWSA-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 519.684 g/mol
Sample ID 287
Solvent CDCl3