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3-BETA-ACETOXY-16-BETA-(4-PHENYL-1H-1,2,3-TRIAZOL-1-YLMETHYL)-ANDROST-5-EN-17-BETA-OL
SpectraBase Compound ID FArn2D3wKi6
InChI InChI=1S/C30H39N3O3/c1-19(34)36-23-11-13-29(2)22(16-23)9-10-24-25(29)12-14-30(3)26(24)15-21(28(30)35)17-33-18-27(31-32-33)20-7-5-4-6-8-20/h4-9,18,21,23-26,28,35H,10-17H2,1-3H3/t21-,23+,24-,25+,26+,28+,29+,30+/m1/s1
InChIKey QUUXDSYBYUEFIO-UUMOALAQSA-N
Mol Weight 489.7 g/mol
Molecular Formula C30H39N3O3
Exact Mass 489.299142 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID dAXRK3dceh
Name 3-BETA-ACETOXY-16-BETA-(4-PHENYL-1H-1,2,3-TRIAZOL-1-YLMETHYL)-ANDROST-5-EN-17-BETA-OL
Compound Number 6A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H39N3O3
InChI InChI=1S/C30H39N3O3/c1-19(34)36-23-11-13-29(2)22(16-23)9-10-24-25(29)12-14-30(3)26(24)15-21(28(30)35)17-33-18-27(31-32-33)20-7-5-4-6-8-20/h4-9,18,21,23-26,28,35H,10-17H2,1-3H3/t21-,23+,24-,25+,26+,28+,29+,30+/m1/s1
InChIKey QUUXDSYBYUEFIO-UUMOALAQSA-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 489.658 g/mol
Sample ID 283
Solvent CDCl3