| SpectraBase Compound ID | 6MNTOVwrP5T |
|---|---|
| InChI | InChI=1S/C35H62O7/c1-3-4-5-6-7-8-9-10-11-15-18-31(38)32-21-22-34(42-32)33-20-19-30(41-33)25-29(37)17-14-12-13-16-28(36)24-27-23-26(2)40-35(27)39/h23,26,28-34,36-38H,3-22,24-25H2,1-2H3/t26-,28+,29?,30?,31?,32?,33?,34?/m0/s1 |
| InChIKey | AAJKTJJGBYWRHK-IWVHRNQOSA-N |
| Mol Weight | 594.9 g/mol |
| Molecular Formula | C35H62O7 |
| Exact Mass | 594.449554 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1pnksAg7SVw |
|---|---|
| Name | ROLLINACIN |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H62O7 |
| InChI | InChI=1S/C35H62O7/c1-3-4-5-6-7-8-9-10-11-15-18-31(38)32-21-22-34(42-32)33-20-19-30(41-33)25-29(37)17-14-12-13-16-28(36)24-27-23-26(2)40-35(27)39/h23,26,28-34,36-38H,3-22,24-25H2,1-2H3/t26-,28+,29?,30?,31?,32?,33?,34?/m0/s1 |
| InChIKey | AAJKTJJGBYWRHK-IWVHRNQOSA-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 | 594.873 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSP1520 |