| SpectraBase Compound ID | GXnPzBRxspR |
|---|---|
| InChI | InChI=1S/C40H43NO7/c1-26(2)31-19-20-40(25-45-36(42)28-12-7-5-8-13-28)34(47-37(43)29-14-9-6-10-15-29)22-27(3)17-18-33-39(4,48-33)23-32(35(31)40)46-38(44)30-16-11-21-41-24-30/h5-16,21-22,24,32-35H,17-20,23,25H2,1-4H3/b27-22+/t32-,33-,34+,35-,39+,40+/m1/s1 |
| InChIKey | BAWZCXWHQRYCJR-DURPJSJGSA-N |
| Mol Weight | 649.8 g/mol |
| Molecular Formula | C40H43NO7 |
| Exact Mass | 649.303953 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9GydN4sqpXq |
|---|---|
| Name | NIGELLAMINE-A1 |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H43NO7 |
| InChI | InChI=1S/C40H43NO7/c1-26(2)31-19-20-40(25-45-36(42)28-12-7-5-8-13-28)34(47-37(43)29-14-9-6-10-15-29)22-27(3)17-18-33-39(4,48-33)23-32(35(31)40)46-38(44)30-16-11-21-41-24-30/h5-16,21-22,24,32-35H,17-20,23,25H2,1-4H3/b27-22+/t32-,33-,34+,35-,39+,40+/m1/s1 |
| InChIKey | BAWZCXWHQRYCJR-DURPJSJGSA-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 | 649.784 g/mol |
| Sample ID | 50182 |
| Solvent | CDCl3 |