| SpectraBase Compound ID | EwoWqttkLOQ |
|---|---|
| InChI | InChI=1S/C31H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(35)39-29-28(36)25(20-32)40-31(30(29)37)27-22(21-38-31)18-23(33)19-24(27)34/h6-7,9-10,18-19,25,28-30,32-34,36-37H,2-5,8,11-17,20-21H2,1H3/b7-6-,10-9-/t25-,28-,29+,30-,31+/m1/s1 |
| InChIKey | FFPBNMMRKXDZCI-WRJJHDHYSA-N |
| Mol Weight | 562.7 g/mol |
| Molecular Formula | C31H46O9 |
| Exact Mass | 562.314183 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1M6TW3m9YSb |
|---|---|
| Name | FFPBNMMRKXDZCI-WRJJHDHYSA-N |
| Compound Number | 50 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H46O9 |
| InChI | InChI=1S/C31H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(35)39-29-28(36)25(20-32)40-31(30(29)37)27-22(21-38-31)18-23(33)19-24(27)34/h6-7,9-10,18-19,25,28-30,32-34,36-37H,2-5,8,11-17,20-21H2,1H3/b7-6-,10-9-/t25-,28-,29+,30-,31+/m1/s1 |
| InChIKey | FFPBNMMRKXDZCI-WRJJHDHYSA-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 | 562.701 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWIR10744 |