For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-BETA-ACETOXY-16-BETA-[4-(3-AMINOPHENYL)-1H-1,2,3-TRIAZOL-1-YLMETHYL]-ANDROST-5-EN-17-BETA-OL
SpectraBase Compound ID GY5n1dAEHPy
InChI InChI=1S/C30H40N4O3/c1-18(35)37-23-9-11-29(2)21(15-23)7-8-24-25(29)10-12-30(3)26(24)14-20(28(30)36)16-34-17-27(32-33-34)19-5-4-6-22(31)13-19/h4-7,13,17,20,23-26,28,36H,8-12,14-16,31H2,1-3H3/t20-,23+,24-,25+,26+,28+,29+,30+/m1/s1
InChIKey KYMBUMISYIJNLJ-RAEVXBBGSA-N
Mol Weight 504.7 g/mol
Molecular Formula C30H40N4O3
Exact Mass 504.310041 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID DKMmRlDHGG5
Name 3-BETA-ACETOXY-16-BETA-[4-(3-AMINOPHENYL)-1H-1,2,3-TRIAZOL-1-YLMETHYL]-ANDROST-5-EN-17-BETA-OL
Compound Number 6 H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H40N4O3
InChI InChI=1S/C30H40N4O3/c1-18(35)37-23-9-11-29(2)21(15-23)7-8-24-25(29)10-12-30(3)26(24)14-20(28(30)36)16-34-17-27(32-33-34)19-5-4-6-22(31)13-19/h4-7,13,17,20,23-26,28,36H,8-12,14-16,31H2,1-3H3/t20-,23+,24-,25+,26+,28+,29+,30+/m1/s1
InChIKey KYMBUMISYIJNLJ-RAEVXBBGSA-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 504.673 g/mol
Sample ID 289
Solvent DMSO-D6