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N-[(N-CHLORAMBUCILAMINO)-UNDECANOYL]-PARA-HYDROXYPHENYL-L-PARA-TYROSINAMIDE
SpectraBase Compound ID 1fgdi6GctWe
InChI InChI=1S/C40H54Cl2N4O5/c41-25-28-46(29-26-42)34-19-13-31(14-20-34)10-9-12-38(49)43-27-8-6-4-2-1-3-5-7-11-39(50)45-37(30-32-15-21-35(47)22-16-32)40(51)44-33-17-23-36(48)24-18-33/h13-24,37,47-48H,1-12,25-30H2,(H,43,49)(H,44,51)(H,45,50)/t37-/m0/s1
InChIKey ZFGGFDYDCYBSNU-QNGWXLTQSA-N
Mol Weight 741.8 g/mol
Molecular Formula C40H54Cl2N4O5
Exact Mass 740.347126 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BQ3wlWG3a8g
Name N-[(N-CHLORAMBUCILAMINO)-UNDECANOYL]-PARA-HYDROXYPHENYL-L-PARA-TYROSINAMIDE
Compound Number 6-(M=10)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H54Cl2N4O5
InChI InChI=1S/C40H54Cl2N4O5/c41-25-28-46(29-26-42)34-19-13-31(14-20-34)10-9-12-38(49)43-27-8-6-4-2-1-3-5-7-11-39(50)45-37(30-32-15-21-35(47)22-16-32)40(51)44-33-17-23-36(48)24-18-33/h13-24,37,47-48H,1-12,25-30H2,(H,43,49)(H,44,51)(H,45,50)/t37-/m0/s1
InChIKey ZFGGFDYDCYBSNU-QNGWXLTQSA-N
Literature Reference Author C.DESCOTEAUX,K.BRASSEUR,V.LEBLANC,S.PARENT,E.ASSELIN,G.BERUB E
Literature Reference Citation STEROIDS,77,403(2012)
Literature Reference DOI 10.1016/j.steroids.2011.12.021
Molecular Weight 741.799 g/mol
Sample ID 70575
Solvent ACETONE-D6