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3-BETA-ACETOXY-16-BETA-(5-BENZYLOXYCARBONYL-1H-TETRAZOL-1-YLMETHYL)-ANDROST-5-EN-17-BETA-OL
SpectraBase Compound ID 3YTd7brsdx7
InChI InChI=1S/C31H40N4O5/c1-19(36)40-23-11-13-30(2)22(16-23)9-10-24-25(30)12-14-31(3)26(24)15-21(27(31)37)17-35-28(32-33-34-35)29(38)39-18-20-7-5-4-6-8-20/h4-9,21,23-27,37H,10-18H2,1-3H3/t21-,23+,24-,25+,26+,27+,30+,31+/m1/s1
InChIKey LSSJVSIBCXNIKM-WXAMIVDOSA-N
Mol Weight 548.7 g/mol
Molecular Formula C31H40N4O5
Exact Mass 548.29987 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Et9KjhkqUj0
Name 3-BETA-ACETOXY-16-BETA-(5-BENZYLOXYCARBONYL-1H-TETRAZOL-1-YLMETHYL)-ANDROST-5-EN-17-BETA-OL
Compound Number 9C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H40N4O5
InChI InChI=1S/C31H40N4O5/c1-19(36)40-23-11-13-30(2)22(16-23)9-10-24-25(30)12-14-31(3)26(24)15-21(27(31)37)17-35-28(32-33-34-35)29(38)39-18-20-7-5-4-6-8-20/h4-9,21,23-27,37H,10-18H2,1-3H3/t21-,23+,24-,25+,26+,27+,30+,31+/m1/s1
InChIKey LSSJVSIBCXNIKM-WXAMIVDOSA-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 548.682 g/mol
Sample ID 294
Solvent CDCl3