| SpectraBase Compound ID | 3PDnKGHuY5S |
|---|---|
| InChI | InChI=1S/C36H58N2O12/c1-12-27-36(8,43)31(41)21(4)28(39)19(2)18-35(7,46-11)32(50-34-29(40)25(37(9)10)17-20(3)47-34)22(5)30(23(6)33(42)49-27)48-26-16-14-13-15-24(26)38(44)45/h13-16,19-23,25,27,29-32,34,40-41,43H,12,17-18H2,1-11H3/t19-,20-,21+,22+,23-,25+,27-,29-,30+,31-,32-,34+,35+,36-/m1/s1 |
| InChIKey | JNLKAKSVQSMYFQ-VTWDITNYSA-N |
| Mol Weight | 710.9 g/mol |
| Molecular Formula | C36H58N2O12 |
| Exact Mass | 710.398975 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ESZeF1a0yqP |
|---|---|
| Name | JNLKAKSVQSMYFQ-VTWDITNYSA-N |
| Compound Number | 3G |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H58N2O12 |
| InChI | InChI=1S/C36H58N2O12/c1-12-27-36(8,43)31(41)21(4)28(39)19(2)18-35(7,46-11)32(50-34-29(40)25(37(9)10)17-20(3)47-34)22(5)30(23(6)33(42)49-27)48-26-16-14-13-15-24(26)38(44)45/h13-16,19-23,25,27,29-32,34,40-41,43H,12,17-18H2,1-11H3/t19-,20-,21+,22+,23-,25+,27-,29-,30+,31-,32-,34+,35+,36-/m1/s1 |
| InChIKey | JNLKAKSVQSMYFQ-VTWDITNYSA-N |
| Literature Reference Author | T.TANIKAWA,T.ASAKA,M.KASHIMURA,Y.MISAWA,K.SUZUKI,M.SATO,K.KA MEO,S.MORIMOTO,A.NIS |
| Literature Reference Citation | J.MED.CHEM.,44,4027(2001) |
| Literature Reference DOI | 10.1021/jm015566s |
| Molecular Weight | 710.863 g/mol |
| Sample ID | 45176 |
| Solvent | CDCl3 |