| SpectraBase Compound ID | 2H9kRKLaF4v |
|---|---|
| InChI | InChI=1S/C34H68N2O9/c1-25(35)28(40)21-17-13-9-7-5-3-2-4-6-8-11-15-19-26(39)20-16-12-10-14-18-22-29(27(36)23-37)44-34-33(43)32(42)31(41)30(24-38)45-34/h25,27-34,37-38,40-43H,2-24,35-36H2,1H3/t25?,27?,28?,29?,30-,31-,32+,33-,34-/m0/s1 |
| InChIKey | MTILEUGHINFLTP-KSJMFMLESA-N |
| Mol Weight | 648.9 g/mol |
| Molecular Formula | C34H68N2O9 |
| Exact Mass | 648.492482 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7b9SQe1SXeq |
|---|---|
| Name | (-)-OCEANAPISIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H68N2O9 |
| InChI | InChI=1S/C34H68N2O9/c1-25(35)28(40)21-17-13-9-7-5-3-2-4-6-8-11-15-19-26(39)20-16-12-10-14-18-22-29(27(36)23-37)44-34-33(43)32(42)31(41)30(24-38)45-34/h25,27-34,37-38,40-43H,2-24,35-36H2,1H3/t25?,27?,28?,29?,30-,31-,32+,33-,34-/m0/s1 |
| InChIKey | MTILEUGHINFLTP-KSJMFMLESA-N |
| Literature Reference Author | G.M.NICHOLAS,T.W.HONG,T.F.MOLINSKI,M.L.LERCH,M.T.CANCILLA,C. B.LEBRILLA |
| Literature Reference Citation | J.NAT.PROD.,62,1678(1999) |
| Literature Reference DOI | 10.1021/np990190v |
| Molecular Weight | 648.922 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWRU455 |