| SpectraBase Compound ID | Fsbh6IFiLdF |
|---|---|
| InChI | InChI=1S/C37H66O8/c1-3-4-13-18-29(38)30(39)20-16-21-32(41)34-23-25-36(45-34)35-24-22-33(44-35)31(40)19-15-12-10-8-6-5-7-9-11-14-17-28-26-27(2)43-37(28)42/h26-27,29-36,38-41H,3-25H2,1-2H3/t27-,29?,30?,31+,32+,33+,34-,35+,36-/m0/s1 |
| InChIKey | SWLPIUHJTSWWOJ-OWIOCXJISA-N |
| Mol Weight | 638.9 g/mol |
| Molecular Formula | C37H66O8 |
| Exact Mass | 638.475769 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5aQdJmZqk89 |
|---|---|
| Name | ROLLITACIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H66O8 |
| InChI | InChI=1S/C37H66O8/c1-3-4-13-18-29(38)30(39)20-16-21-32(41)34-23-25-36(45-34)35-24-22-33(44-35)31(40)19-15-12-10-8-6-5-7-9-11-14-17-28-26-27(2)43-37(28)42/h26-27,29-36,38-41H,3-25H2,1-2H3/t27-,29?,30?,31+,32+,33+,34-,35+,36-/m0/s1 |
| InChIKey | SWLPIUHJTSWWOJ-OWIOCXJISA-N |
| Literature Reference Author | G.SHI,J.M.MACDOUGAL,J.L.MCLAUGHLIN |
| Literature Reference Citation | PHYTOCHEM.,45,719(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00028-9 |
| Molecular Weight | 638.926 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSP1519 |