| SpectraBase Compound ID | 4PjcptYfxu0 |
|---|---|
| InChI | InChI=1S/C37H58O12/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-32(39)48-35-34(40)31(23-38)49-37(36(35)46-27-43-4)33-28(24-47-37)21-29(44-25-41-2)22-30(33)45-26-42-3/h9-10,12-13,21-22,31,34-36,38,40H,5-8,11,14-20,23-27H2,1-4H3/b10-9-,13-12-/t31-,34-,35+,36-,37+/m1/s1 |
| InChIKey | OAEBZKVQVJSGNE-UITFWJJWSA-N |
| Mol Weight | 694.9 g/mol |
| Molecular Formula | C37H58O12 |
| Exact Mass | 694.392827 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3NFghSvpehy |
|---|---|
| Name | OAEBZKVQVJSGNE-UITFWJJWSA-N |
| Compound Number | 46 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H58O12 |
| InChI | InChI=1S/C37H58O12/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-32(39)48-35-34(40)31(23-38)49-37(36(35)46-27-43-4)33-28(24-47-37)21-29(44-25-41-2)22-30(33)45-26-42-3/h9-10,12-13,21-22,31,34-36,38,40H,5-8,11,14-20,23-27H2,1-4H3/b10-9-,13-12-/t31-,34-,35+,36-,37+/m1/s1 |
| InChIKey | OAEBZKVQVJSGNE-UITFWJJWSA-N |
| Literature Reference Author | M.V.D.KAADEN,E.BREUKINK,R.J.PIETERS |
| Literature Reference Citation | BEIL.J.ORG.CHEM.,8,732(2012) |
| Literature Reference DOI | 10.3762/bjoc.8.82 |
| Molecular Weight | 694.860 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR10739 |