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3-BETA-ACETOXY-16-BETA-[4-(3-TOLYL)-1H-1,2,3-TRIAZOL-1-YLMETHYL]-ANDROST-5-EN-17-BETA-OL
SpectraBase Compound ID 4Dq0KDIrF0R
InChI InChI=1S/C31H41N3O3/c1-19-6-5-7-21(14-19)28-18-34(33-32-28)17-22-15-27-25-9-8-23-16-24(37-20(2)35)10-12-30(23,3)26(25)11-13-31(27,4)29(22)36/h5-8,14,18,22,24-27,29,36H,9-13,15-17H2,1-4H3/t22-,24+,25-,26+,27+,29+,30+,31+/m1/s1
InChIKey IWJQREQRXIFHRV-XQQVQZKWSA-N
Mol Weight 503.7 g/mol
Molecular Formula C31H41N3O3
Exact Mass 503.314792 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4IyyBMcO4l6
Name 3-BETA-ACETOXY-16-BETA-[4-(3-TOLYL)-1H-1,2,3-TRIAZOL-1-YLMETHYL]-ANDROST-5-EN-17-BETA-OL
Compound Number 6C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H41N3O3
InChI InChI=1S/C31H41N3O3/c1-19-6-5-7-21(14-19)28-18-34(33-32-28)17-22-15-27-25-9-8-23-16-24(37-20(2)35)10-12-30(23,3)26(25)11-13-31(27,4)29(22)36/h5-8,14,18,22,24-27,29,36H,9-13,15-17H2,1-4H3/t22-,24+,25-,26+,27+,29+,30+,31+/m1/s1
InChIKey IWJQREQRXIFHRV-XQQVQZKWSA-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 503.685 g/mol
Sample ID 285
Solvent CDCl3