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3-BETA-ACETOXY-16-BETA-(4-CYCLOPROPYL-1H-1,2,3-TRIAZOL-1-YLMETHYL)-ANDROST-5-EN-17-BETA-OL
SpectraBase Compound ID 4AeTMs6K2rv
InChI InChI=1S/C27H39N3O3/c1-16(31)33-20-8-10-26(2)19(13-20)6-7-21-22(26)9-11-27(3)23(21)12-18(25(27)32)14-30-15-24(28-29-30)17-4-5-17/h6,15,17-18,20-23,25,32H,4-5,7-14H2,1-3H3/t18-,20+,21-,22+,23+,25+,26+,27+/m1/s1
InChIKey CUVMCOZZGGXBDV-GUIMVGJQSA-N
Mol Weight 453.6 g/mol
Molecular Formula C27H39N3O3
Exact Mass 453.299142 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Rtj9tVSUlT
Name 3-BETA-ACETOXY-16-BETA-(4-CYCLOPROPYL-1H-1,2,3-TRIAZOL-1-YLMETHYL)-ANDROST-5-EN-17-BETA-OL
Compound Number 6J
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H39N3O3
InChI InChI=1S/C27H39N3O3/c1-16(31)33-20-8-10-26(2)19(13-20)6-7-21-22(26)9-11-27(3)23(21)12-18(25(27)32)14-30-15-24(28-29-30)17-4-5-17/h6,15,17-18,20-23,25,32H,4-5,7-14H2,1-3H3/t18-,20+,21-,22+,23+,25+,26+,27+/m1/s1
InChIKey CUVMCOZZGGXBDV-GUIMVGJQSA-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 453.625 g/mol
Sample ID 291
Solvent CDCl3