| SpectraBase Compound ID | DI4ZbyEkhbj |
|---|---|
| InChI | InChI=1S/C37H39NO9/c1-22-18-19-27(44-34(42)26-17-12-20-38-21-26)36(5)31(46-33(41)25-15-10-7-11-16-25)29(45-32(40)24-13-8-6-9-14-24)28-30(43-23(2)39)37(22,36)47-35(28,3)4/h6-17,20-22,27-31H,18-19H2,1-5H3/t22-,27+,28-,29-,30-,31-,36+,37-/m1/s1 |
| InChIKey | VXKXHUUBMHAIND-DNLBTEDLSA-N |
| Mol Weight | 641.7 g/mol |
| Molecular Formula | C37H39NO9 |
| Exact Mass | 641.262482 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8HfzvvBPdqh |
|---|---|
| Name | TRIPTOGELIN-B-2 |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H39NO9 |
| InChI | InChI=1S/C37H39NO9/c1-22-18-19-27(44-34(42)26-17-12-20-38-21-26)36(5)31(46-33(41)25-15-10-7-11-16-25)29(45-32(40)24-13-8-6-9-14-24)28-30(43-23(2)39)37(22,36)47-35(28,3)4/h6-17,20-22,27-31H,18-19H2,1-5H3/t22-,27+,28-,29-,30-,31-,36+,37-/m1/s1 |
| InChIKey | VXKXHUUBMHAIND-DNLBTEDLSA-N |
| Literature Reference Author | Y.TAKAISHI,K.TOKURA,S.TAMAI,K.UJITA,K.NAKANO,T.TOMIMATSU |
| Literature Reference Citation | PHYTOCHEM.,30,1567(1991) |
| Literature Reference DOI | 10.1016/0031-9422(91)84210-J |
| Molecular Weight | 641.718 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS26070 |