| SpectraBase Compound ID | Li6fpdVLG1X |
|---|---|
| InChI | InChI=1S/C21H35N3O2S/c1-18-8-4-9-19(2,16(25)26)14(18)7-10-21-11-13(5-6-15(18)21)20(3,12-21)23-17(27)24-22/h13-15H,4-12,22H2,1-3H3,(H,25,26)(H2,23,24,27)/t13-,14+,15+,18-,19-,20-,21+/m1/s1 |
| InChIKey | OQELSQUSANZUMQ-XPZYIXMRSA-N |
| Mol Weight | 393.6 g/mol |
| Molecular Formula | C21H35N3O2S |
| Exact Mass | 393.244999 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5rw9IlA4c7k |
|---|---|
| Name | N4-(ENT-KAUREN-16-BETA-METHYL-19-OIC-ACID)-THIOSEMICARBAZIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H35N3O2S |
| InChI | InChI=1S/C21H35N3O2S/c1-18-8-4-9-19(2,16(25)26)14(18)7-10-21-11-13(5-6-15(18)21)20(3,12-21)23-17(27)24-22/h13-15H,4-12,22H2,1-3H3,(H,25,26)(H2,23,24,27)/t13-,14+,15+,18-,19-,20-,21+/m1/s1 |
| InChIKey | OQELSQUSANZUMQ-XPZYIXMRSA-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 | 393.588 g/mol |
| Sample ID | 85 |
| Solvent | DMSO-D6 |