| SpectraBase Compound ID | 9tOa3ITijTb |
|---|---|
| InChI | InChI=1S/C42H36O10/c43-34-30(24-49-38(45)26-13-5-1-6-14-26)23-32-33(36(34)52-41(48)29-19-11-4-12-20-29)31-21-22-42(32,25-50-39(46)27-15-7-2-8-16-27)37(44)35(31)51-40(47)28-17-9-3-10-18-28/h1-23,31-37,43-44H,24-25H2/t31-,32-,33-,34-,35-,36-,37+,42-/m1/s1 |
| InChIKey | ZBTXOBXQJKWFPD-SNFSEVRXSA-N |
| Mol Weight | 700.7 g/mol |
| Molecular Formula | C42H36O10 |
| Exact Mass | 700.230847 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CjSho8xw8AL |
|---|---|
| Name | ROTUNDOL |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H36O10 |
| InChI | InChI=1S/C42H36O10/c43-34-30(24-49-38(45)26-13-5-1-6-14-26)23-32-33(36(34)52-41(48)29-19-11-4-12-20-29)31-21-22-42(32,25-50-39(46)27-15-7-2-8-16-27)37(44)35(31)51-40(47)28-17-9-3-10-18-28/h1-23,31-37,43-44H,24-25H2/t31-,32-,33-,34-,35-,36-,37+,42-/m1/s1 |
| InChIKey | ZBTXOBXQJKWFPD-SNFSEVRXSA-N |
| Literature Reference Author | P.C.STEVENSON,N.C.VEITCH,M.S.J.SIMMONDS |
| Literature Reference Citation | PHYTOCHEM.,68,1579(2007) |
| Literature Reference DOI | 10.1016/j.phytochem.2007.03.015 |
| Molecular Weight | 700.742 g/mol |
| Sample ID | 62375 |
| Solvent | CD3OD |