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N1-(E)-(4-METHYLPHENYL)-N4-(ENT-KAUREN-16-BETA-METHYL-19-OIC-ACID)-THIOSEMICARBAZONE
SpectraBase Compound ID HJgnhc7dXim
InChI InChI=1S/C29H41N3O2S/c1-19-6-8-20(9-7-19)17-30-32-25(35)31-28(4)18-29-15-12-22-26(2,23(29)11-10-21(28)16-29)13-5-14-27(22,3)24(33)34/h6-9,17,21-23H,5,10-16,18H2,1-4H3,(H,33,34)(H2,31,32,35)/b30-17+/t21-,22+,23+,26-,27-,28-,29+/m1/s1
InChIKey OEQNAPTZFYVUJC-BDZHXBHMSA-N
Mol Weight 495.7 g/mol
Molecular Formula C29H41N3O2S
Exact Mass 495.291949 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CCb5auv7nDI
Name N1-(E)-(4-METHYLPHENYL)-N4-(ENT-KAUREN-16-BETA-METHYL-19-OIC-ACID)-THIOSEMICARBAZONE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H41N3O2S
InChI InChI=1S/C29H41N3O2S/c1-19-6-8-20(9-7-19)17-30-32-25(35)31-28(4)18-29-15-12-22-26(2,23(29)11-10-21(28)16-29)13-5-14-27(22,3)24(33)34/h6-9,17,21-23H,5,10-16,18H2,1-4H3,(H,33,34)(H2,31,32,35)/b30-17+/t21-,22+,23+,26-,27-,28-,29+/m1/s1
InChIKey OEQNAPTZFYVUJC-BDZHXBHMSA-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 495.723 g/mol
Sample ID 87
Solvent DMSO-D6