| SpectraBase Compound ID | 6KSmrus58r7 |
|---|---|
| InChI | InChI=1S/C39H68O8/c1-4-5-6-7-8-9-10-14-17-20-23-35(43)36-26-27-37(47-36)38(46-31(3)40)29-34(42)22-19-16-13-11-12-15-18-21-33(41)25-24-32-28-30(2)45-39(32)44/h28,30,34-38,42-43H,4-27,29H2,1-3H3/t30-,34-,35-,36+,37+,38+/m1/s1 |
| InChIKey | BDOAVPGXBNUKRA-SWZYUCDPSA-N |
| Mol Weight | 665.0 g/mol |
| Molecular Formula | C39H68O8 |
| Exact Mass | 664.491419 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 43s2SEMILfa |
|---|---|
| Name | TONKININ-C |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H68O8 |
| InChI | InChI=1S/C39H68O8/c1-4-5-6-7-8-9-10-14-17-20-23-35(43)36-26-27-37(47-36)38(46-31(3)40)29-34(42)22-19-16-13-11-12-15-18-21-33(41)25-24-32-28-30(2)45-39(32)44/h28,30,34-38,42-43H,4-27,29H2,1-3H3/t30-,34-,35-,36+,37+,38+/m1/s1 |
| InChIKey | BDOAVPGXBNUKRA-SWZYUCDPSA-N |
| Literature Reference Author | Y.CHEN,R.Y.CHEN,D.Q.YU |
| Literature Reference Citation | PHYTOCHEM.,43,793(1996) |
| Literature Reference DOI | 10.1016/0031-9422(96)00377-9 |
| Molecular Weight | 664.964 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS2180 |