| SpectraBase Compound ID | HOfE51WAl3r |
|---|---|
| InChI | InChI=1S/C24H39NO5/c1-15-16(13-20(27)30-12-11-25-4)7-8-17-21(15)18(26)14-19-23(17,2)9-6-10-24(19,3)22(28)29-5/h13,15,17-19,21,25-26H,6-12,14H2,1-5H3/b16-13+ |
| InChIKey | COAPCKUZMKOWBC-DTQAZKPQSA-N |
| Mol Weight | 421.6 g/mol |
| Molecular Formula | C24H39NO5 |
| Exact Mass | 421.282823 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4MrBPYrvOeE |
|---|---|
| Name | Erythrophleine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 421.282823355 u |
| Formula | C24H39NO5 |
| InChI | InChI=1S/C24H39NO5/c1-15-16(13-20(27)30-12-11-25-4)7-8-17-21(15)18(26)14-19-23(17,2)9-6-10-24(19,3)22(28)29-5/h13,15,17-19,21,25-26H,6-12,14H2,1-5H3/b16-13+ |
| InChIKey | COAPCKUZMKOWBC-DTQAZKPQSA-N |
| Molecular Weight | 421.578 g/mol |
| SMILES | CC12C(C(C(OC)=O)(C)CCC2)CC(C2C1CC\C(C2C)=C/C(OCCNC)=O)O |