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3-BETA-ACETOXY-16-BETA-(5-METHOXYCARBONYL-1H-TETRAZOL-1-YLMETHYL)-ANDROST-5-EN-17-BETA-OL
SpectraBase Compound ID JVBnZdfWl93
InChI InChI=1S/C25H36N4O5/c1-14(30)34-17-7-9-24(2)16(12-17)5-6-18-19(24)8-10-25(3)20(18)11-15(21(25)31)13-29-22(23(32)33-4)26-27-28-29/h5,15,17-21,31H,6-13H2,1-4H3/t15-,17+,18-,19+,20+,21+,24+,25+/m1/s1
InChIKey MHFFNBCWZULKRZ-RUVYHGBISA-N
Mol Weight 472.6 g/mol
Molecular Formula C25H36N4O5
Exact Mass 472.26857 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lqs3gMg2zE3
Name 3-BETA-ACETOXY-16-BETA-(5-METHOXYCARBONYL-1H-TETRAZOL-1-YLMETHYL)-ANDROST-5-EN-17-BETA-OL
Compound Number 9A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H36N4O5
InChI InChI=1S/C25H36N4O5/c1-14(30)34-17-7-9-24(2)16(12-17)5-6-18-19(24)8-10-25(3)20(18)11-15(21(25)31)13-29-22(23(32)33-4)26-27-28-29/h5,15,17-21,31H,6-13H2,1-4H3/t15-,17+,18-,19+,20+,21+,24+,25+/m1/s1
InChIKey MHFFNBCWZULKRZ-RUVYHGBISA-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 472.585 g/mol
Sample ID 292
Solvent CDCl3