| SpectraBase Compound ID | ASftZPMaznN |
|---|---|
| InChI | InChI=1S/C29H41N3O3S/c1-26-13-5-14-27(2,24(33)34)22(26)12-15-29-16-20(8-11-23(26)29)28(3,18-29)31-25(36)32-30-17-19-6-9-21(35-4)10-7-19/h6-7,9-10,17,20,22-23H,5,8,11-16,18H2,1-4H3,(H,33,34)(H2,31,32,36)/b30-17+/t20-,22+,23+,26-,27-,28-,29+/m1/s1 |
| InChIKey | OEJNHAKOMBLJTL-HRFLWPRBSA-N |
| Mol Weight | 511.7 g/mol |
| Molecular Formula | C29H41N3O3S |
| Exact Mass | 511.286863 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CKFnob9nCTs |
|---|---|
| Name | N1-(E)-(4-METHOXYPHENYL)-N4-(ENT-KAUREN-16-BETA-METHYL-19-OIC-ACID)-THIOSEMICARBAZONE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H41N3O3S |
| InChI | InChI=1S/C29H41N3O3S/c1-26-13-5-14-27(2,24(33)34)22(26)12-15-29-16-20(8-11-23(26)29)28(3,18-29)31-25(36)32-30-17-19-6-9-21(35-4)10-7-19/h6-7,9-10,17,20,22-23H,5,8,11-16,18H2,1-4H3,(H,33,34)(H2,31,32,36)/b30-17+/t20-,22+,23+,26-,27-,28-,29+/m1/s1 |
| InChIKey | OEJNHAKOMBLJTL-HRFLWPRBSA-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 | 511.723 g/mol |
| Sample ID | 88 |
| Solvent | DMSO-D6 |