| SpectraBase Compound ID | LfKdP0i2YTs |
|---|---|
| InChI | InChI=1S/C37H43NO8/c1-34(2)12-6-13-35(3)28(34)11-14-36-17-21(9-10-29(35)36)37(18-36,19-39)46-33(40)24-16-27-32(45-20-44-27)31-22-7-5-8-26(43-4)23(22)15-25(30(24)31)38(41)42/h5,7-8,15-16,21,28-29,39H,6,9-14,17-20H2,1-4H3/t21-,28-,29+,35-,36+,37+/m1/s1 |
| InChIKey | KFVNSGSGMMBVOZ-ITGUHTALSA-N |
| Mol Weight | 629.8 g/mol |
| Molecular Formula | C37H43NO8 |
| Exact Mass | 629.298867 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3bPCpX1K507 |
|---|---|
| Name | ARISTOLIN |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H43NO8 |
| InChI | InChI=1S/C37H43NO8/c1-34(2)12-6-13-35(3)28(34)11-14-36-17-21(9-10-29(35)36)37(18-36,19-39)46-33(40)24-16-27-32(45-20-44-27)31-22-7-5-8-26(43-4)23(22)15-25(30(24)31)38(41)42/h5,7-8,15-16,21,28-29,39H,6,9-14,17-20H2,1-4H3/t21-,28-,29+,35-,36+,37+/m1/s1 |
| InChIKey | KFVNSGSGMMBVOZ-ITGUHTALSA-N |
| Literature Reference Author | I.R.NASCIMENTO,L.M.X.LOPES |
| Literature Reference Citation | PHYTOCHEM.,63,953(2003) |
| Literature Reference DOI | 10.1016/S0031-9422(03)00335-2 |
| Molecular Weight | 629.750 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS28446 |