| SpectraBase Compound ID | DdUBgwtRUHI |
|---|---|
| InChI | InChI=1S/C28H39N3O3S/c1-25-12-4-13-26(2,23(33)34)21(25)11-14-28-15-19(7-10-22(25)28)27(3,17-28)30-24(35)31-29-16-18-5-8-20(32)9-6-18/h5-6,8-9,16,19,21-22,32H,4,7,10-15,17H2,1-3H3,(H,33,34)(H2,30,31,35)/b29-16+/t19-,21+,22+,25-,26-,27-,28+/m1/s1 |
| InChIKey | HGUZTAUDFJCGFC-QNDWYLFTSA-N |
| Mol Weight | 497.7 g/mol |
| Molecular Formula | C28H39N3O3S |
| Exact Mass | 497.271213 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3LSiLpBcFWY |
|---|---|
| Name | N1-(E)-(4-HYDROXYPHENYL)-N4-(ENT-KAUREN-16-BETA-METHYL-19-OIC-ACID)-THIOSEMICARBAZONE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H39N3O3S |
| InChI | InChI=1S/C28H39N3O3S/c1-25-12-4-13-26(2,23(33)34)21(25)11-14-28-15-19(7-10-22(25)28)27(3,17-28)30-24(35)31-29-16-18-5-8-20(32)9-6-18/h5-6,8-9,16,19,21-22,32H,4,7,10-15,17H2,1-3H3,(H,33,34)(H2,30,31,35)/b29-16+/t19-,21+,22+,25-,26-,27-,28+/m1/s1 |
| InChIKey | HGUZTAUDFJCGFC-QNDWYLFTSA-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 | 497.696 g/mol |
| Sample ID | 89 |
| Solvent | DMSO-D6 |