| 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
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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 |