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3-BETA-ACETOXY-16-BETA-(5-BENZOYL-1H-TETRAZOL-1-YLMETHYL)-ANDROST-5-EN-17-BETA-OL
SpectraBase Compound ID BdPAg9gmUh8
InChI InChI=1S/C30H38N4O4/c1-18(35)38-22-11-13-29(2)21(16-22)9-10-23-24(29)12-14-30(3)25(23)15-20(27(30)37)17-34-28(31-32-33-34)26(36)19-7-5-4-6-8-19/h4-9,20,22-25,27,37H,10-17H2,1-3H3/t20-,22+,23-,24+,25+,27+,29+,30+/m1/s1
InChIKey GHHBMWBGAUOIBM-KQEGUEGWSA-N
Mol Weight 518.7 g/mol
Molecular Formula C30H38N4O4
Exact Mass 518.289306 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8XLDIBura2k
Name 3-BETA-ACETOXY-16-BETA-(5-BENZOYL-1H-TETRAZOL-1-YLMETHYL)-ANDROST-5-EN-17-BETA-OL
Compound Number 9E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H38N4O4
InChI InChI=1S/C30H38N4O4/c1-18(35)38-22-11-13-29(2)21(16-22)9-10-23-24(29)12-14-30(3)25(23)15-20(27(30)37)17-34-28(31-32-33-34)26(36)19-7-5-4-6-8-19/h4-9,20,22-25,27,37H,10-17H2,1-3H3/t20-,22+,23-,24+,25+,27+,29+,30+/m1/s1
InChIKey GHHBMWBGAUOIBM-KQEGUEGWSA-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 518.656 g/mol
Sample ID 296
Solvent CDCl3