| SpectraBase Compound ID | 1ujEGBwk9uU |
|---|---|
| InChI | InChI=1S/C39H42N2O7/c1-25(2)30-16-17-39(24-45-35(42)27-10-6-5-7-11-27)33(47-37(44)29-13-9-19-41-23-29)20-26(3)14-15-32-38(4,48-32)21-31(34(30)39)46-36(43)28-12-8-18-40-22-28/h5-13,18-20,22-23,31-34H,14-17,21,24H2,1-4H3/b26-20+/t31-,32-,33+,34-,38+,39+/m1/s1 |
| InChIKey | BRPXPVJDVKIHQK-QULUPSGWSA-N |
| Mol Weight | 650.8 g/mol |
| Molecular Formula | C39H42N2O7 |
| Exact Mass | 650.299202 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KzPOteDKmoR |
|---|---|
| Name | NIGELLAMINE-A2 |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H42N2O7 |
| InChI | InChI=1S/C39H42N2O7/c1-25(2)30-16-17-39(24-45-35(42)27-10-6-5-7-11-27)33(47-37(44)29-13-9-19-41-23-29)20-26(3)14-15-32-38(4,48-32)21-31(34(30)39)46-36(43)28-12-8-18-40-22-28/h5-13,18-20,22-23,31-34H,14-17,21,24H2,1-4H3/b26-20+/t31-,32-,33+,34-,38+,39+/m1/s1 |
| InChIKey | BRPXPVJDVKIHQK-QULUPSGWSA-N |
| Literature Reference Author | T.MORIKAWA,F.XU,Y.KASHIMA,H.MATSUDA,K.NINOMIYA,M.YOSHIKAWA |
| Literature Reference Citation | ORG.LETTERS,6,869(2004) |
| Literature Reference DOI | 10.1021/ol036239c |
| Molecular Weight | 650.772 g/mol |
| Sample ID | 50183 |
| Solvent | CDCl3 |