| SpectraBase Compound ID | DGcTi3Ngoo3 |
|---|---|
| InChI | InChI=1S/C30H41NO7/c1-5-31-15-27(2)12-11-19(32)30-23(27)22(37-4)20(25(30)31)28(34)14-18(36-3)17-13-29(30,35)24(28)21(17)38-26(33)16-9-7-6-8-10-16/h6-10,17-25,32,34-35H,5,11-15H2,1-4H3/t17-,18+,19+,20-,21+,22+,23+,24?,25?,27+,28+,29+,30-/m1/s1 |
| InChIKey | RXLFWLFVXXOHFE-QKAGMBDXSA-N |
| Mol Weight | 527.7 g/mol |
| Molecular Formula | C30H41NO7 |
| Exact Mass | 527.288303 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FV47AKwLbxh |
|---|---|
| Name | PENTAGYLINE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H41NO7 |
| InChI | InChI=1S/C30H41NO7/c1-5-31-15-27(2)12-11-19(32)30-23(27)22(37-4)20(25(30)31)28(34)14-18(36-3)17-13-29(30,35)24(28)21(17)38-26(33)16-9-7-6-8-10-16/h6-10,17-25,32,34-35H,5,11-15H2,1-4H3/t17-,18+,19+,20-,21+,22+,23+,24?,25?,27+,28+,29+,30-/m1/s1 |
| InChIKey | RXLFWLFVXXOHFE-QKAGMBDXSA-N |
| Literature Reference Author | A.G.GONZALEZ,G.DELAFUENTE,R.D.ACOSTA |
| Literature Reference Citation | HETEROCYCLES,22,17(1984) |
| Literature Reference DOI | 10.3987/R-1984-01-0017 |
| Molecular Weight | 527.658 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWED8291 |