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3-BETA-ACETOXY-16-BETA-[4-(2-PYRIDYL)-1H-1,2,3-TRIAZOL-1-YLMETHYL]-ANDROST-5-EN-17-BETA-OL
SpectraBase Compound ID ELxxmKFsxQd
InChI InChI=1S/C29H38N4O3/c1-18(34)36-21-9-11-28(2)20(15-21)7-8-22-23(28)10-12-29(3)24(22)14-19(27(29)35)16-33-17-26(31-32-33)25-6-4-5-13-30-25/h4-7,13,17,19,21-24,27,35H,8-12,14-16H2,1-3H3/t19-,21+,22-,23+,24+,27+,28+,29+/m1/s1
InChIKey CUNPEMJTUUAVTL-HZKONFRJSA-N
Mol Weight 490.6 g/mol
Molecular Formula C29H38N4O3
Exact Mass 490.294391 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KmVazDGLx6
Name 3-BETA-ACETOXY-16-BETA-[4-(2-PYRIDYL)-1H-1,2,3-TRIAZOL-1-YLMETHYL]-ANDROST-5-EN-17-BETA-OL
Compound Number 6I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H38N4O3
InChI InChI=1S/C29H38N4O3/c1-18(34)36-21-9-11-28(2)20(15-21)7-8-22-23(28)10-12-29(3)24(22)14-19(27(29)35)16-33-17-26(31-32-33)25-6-4-5-13-30-25/h4-7,13,17,19,21-24,27,35H,8-12,14-16H2,1-3H3/t19-,21+,22-,23+,24+,27+,28+,29+/m1/s1
InChIKey CUNPEMJTUUAVTL-HZKONFRJSA-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 490.646 g/mol
Sample ID 290
Solvent CDCl3