| SpectraBase Compound ID | 2N41N6TDBtU |
|---|---|
| InChI | InChI=1S/C28H39N3O2S/c1-25-13-7-14-26(2,23(32)33)21(25)12-15-28-16-20(10-11-22(25)28)27(3,18-28)30-24(34)31-29-17-19-8-5-4-6-9-19/h4-6,8-9,17,20-22H,7,10-16,18H2,1-3H3,(H,32,33)(H2,30,31,34)/b29-17+/t20-,21+,22+,25-,26-,27-,28+/m1/s1 |
| InChIKey | JDXVLEQPWPVHSZ-FCMSWONRSA-N |
| Mol Weight | 481.7 g/mol |
| Molecular Formula | C28H39N3O2S |
| Exact Mass | 481.276299 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KXyAKCFYBwQ |
|---|---|
| Name | N1-(E)-PHENYL-N4-(ENT-KAUREN-16-BETA-METHYL-19-OIC-ACID)-THIOSEMICARBAZONE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H39N3O2S |
| InChI | InChI=1S/C28H39N3O2S/c1-25-13-7-14-26(2,23(32)33)21(25)12-15-28-16-20(10-11-22(25)28)27(3,18-28)30-24(34)31-29-17-19-8-5-4-6-9-19/h4-6,8-9,17,20-22H,7,10-16,18H2,1-3H3,(H,32,33)(H2,30,31,34)/b29-17+/t20-,21+,22+,25-,26-,27-,28+/m1/s1 |
| InChIKey | JDXVLEQPWPVHSZ-FCMSWONRSA-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 | 481.697 g/mol |
| Sample ID | 86 |
| Solvent | DMSO-D6 |