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N1-(E)-(2-CHLOROPHENYL)-N4-(ENT-KAUREN-16-BETA-METHYL-19-OIC-ACID)-THIOSEMICARBAZONE
SpectraBase Compound ID IinS3SP2FbR
InChI InChI=1S/C28H38ClN3O2S/c1-25-12-6-13-26(2,23(33)34)21(25)11-14-28-15-19(9-10-22(25)28)27(3,17-28)31-24(35)32-30-16-18-7-4-5-8-20(18)29/h4-5,7-8,16,19,21-22H,6,9-15,17H2,1-3H3,(H,33,34)(H2,31,32,35)/b30-16+/t19-,21+,22+,25-,26-,27-,28+/m1/s1
InChIKey GLXGRTIRIVLSSA-XRRKBNPHSA-N
Mol Weight 516.1 g/mol
Molecular Formula C28H38ClN3O2S
Exact Mass 515.237326 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LHXROnVvGrK
Name N1-(E)-(2-CHLOROPHENYL)-N4-(ENT-KAUREN-16-BETA-METHYL-19-OIC-ACID)-THIOSEMICARBAZONE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H38ClN3O2S
InChI InChI=1S/C28H38ClN3O2S/c1-25-12-6-13-26(2,23(33)34)21(25)11-14-28-15-19(9-10-22(25)28)27(3,17-28)31-24(35)32-30-16-18-7-4-5-8-20(18)29/h4-5,7-8,16,19,21-22H,6,9-15,17H2,1-3H3,(H,33,34)(H2,31,32,35)/b30-16+/t19-,21+,22+,25-,26-,27-,28+/m1/s1
InChIKey GLXGRTIRIVLSSA-XRRKBNPHSA-N
Literature Reference Author S.K.HARAGUCHI,A.A.SILVA,G.J.VIDOTTI,P.V.DOSSANTOS,F.P.GARCIA ,R.B.PEDROSO,C.V.NAK
Literature Reference Citation MOLECULES,16,1166(2011)
Literature Reference DOI 10.3390/molecules16021166
Molecular Weight 516.142 g/mol
Sample ID 94
Solvent DMSO-D6