| SpectraBase Compound ID | 5u8so48EER3 |
|---|---|
| InChI | InChI=1S/C30H41NO8/c1-5-31-14-27(2)12-11-17(32)29-19-20-22(39-25(34)15-9-7-6-8-10-15)18(21(19)33)16(37-3)13-28(20,35)30(36,26(29)31)24(38-4)23(27)29/h6-10,16-24,26,32-33,35-36H,5,11-14H2,1-4H3/t16-,17-,18-,19?,20?,21-,22-,23?,24-,26?,27-,28+,29+,30-/m0/s1 |
| InChIKey | UMHFTWMCNPDMSS-DHPUOKOESA-N |
| Mol Weight | 543.7 g/mol |
| Molecular Formula | C30H41NO8 |
| Exact Mass | 543.283217 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GUQRPRg9xBm |
|---|---|
| Name | GRACININE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H41NO8 |
| InChI | InChI=1S/C30H41NO8/c1-5-31-14-27(2)12-11-17(32)29-19-20-22(39-25(34)15-9-7-6-8-10-15)18(21(19)33)16(37-3)13-28(20,35)30(36,26(29)31)24(38-4)23(27)29/h6-10,16-24,26,32-33,35-36H,5,11-14H2,1-4H3/t16-,17-,18-,19?,20?,21-,22-,23?,24-,26?,27-,28+,29+,30-/m0/s1 |
| InChIKey | UMHFTWMCNPDMSS-DHPUOKOESA-N |
| Literature Reference Author | A.G.GONZALEZ,R.D.ACOSTA,J.A.GAVIN,G.DELAFUENTE |
| Literature Reference Citation | HETEROCYCLES,24,2753(1986) |
| Literature Reference DOI | 10.3987/R-1986-10-2753 |
| Molecular Weight | 543.657 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWED8302 |