| 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
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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 © 2016-2025 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 |