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3-BETA-ACETOXY-16-BETA-(5-ACETYL-1H-TETRAZOL-1-YLMETHYL)-ANDROST-5-EN-17-BETA-OL
SpectraBase Compound ID 5Sna9Csvt2C
InChI InChI=1S/C25H36N4O4/c1-14(30)23-26-27-28-29(23)13-16-11-21-19-6-5-17-12-18(33-15(2)31)7-9-24(17,3)20(19)8-10-25(21,4)22(16)32/h5,16,18-22,32H,6-13H2,1-4H3/t16-,18+,19-,20+,21+,22+,24+,25+/m1/s1
InChIKey UDCZDPSKFSDVJG-VVKIPQOKSA-N
Mol Weight 456.6 g/mol
Molecular Formula C25H36N4O4
Exact Mass 456.273656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LbtUEgeIfYR
Name 3-BETA-ACETOXY-16-BETA-(5-ACETYL-1H-TETRAZOL-1-YLMETHYL)-ANDROST-5-EN-17-BETA-OL
Compound Number 9D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H36N4O4
InChI InChI=1S/C25H36N4O4/c1-14(30)23-26-27-28-29(23)13-16-11-21-19-6-5-17-12-18(33-15(2)31)7-9-24(17,3)20(19)8-10-25(21,4)22(16)32/h5,16,18-22,32H,6-13H2,1-4H3/t16-,18+,19-,20+,21+,22+,24+,25+/m1/s1
InChIKey UDCZDPSKFSDVJG-VVKIPQOKSA-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 456.585 g/mol
Sample ID 295
Solvent CDCl3