| SpectraBase Compound ID | EjieXLuuvD0 |
|---|---|
| InChI | InChI=1S/C39H54O12/c1-25(14-15-30-27(3)13-10-16-38(30,4)5)11-9-12-26(2)17-33(41)50-36-35(42)32(20-40)51-39(37(36)48-24-45-8)34-28(21-49-39)18-29(46-22-43-6)19-31(34)47-23-44-7/h9,11-12,14-15,17-19,32,35-37,40,42H,10,13,16,20-24H2,1-8H3/b12-9+,15-14+,25-11+,26-17+/t32-,35-,36+,37-,39+/m1/s1 |
| InChIKey | SJGDRFGYLWEXEC-OWHCYTFGSA-N |
| Mol Weight | 714.8 g/mol |
| Molecular Formula | C39H54O12 |
| Exact Mass | 714.361527 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Du7LXbgQtjr |
|---|---|
| Name | SJGDRFGYLWEXEC-OWHCYTFGSA-N |
| Compound Number | 47 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H54O12 |
| InChI | InChI=1S/C39H54O12/c1-25(14-15-30-27(3)13-10-16-38(30,4)5)11-9-12-26(2)17-33(41)50-36-35(42)32(20-40)51-39(37(36)48-24-45-8)34-28(21-49-39)18-29(46-22-43-6)19-31(34)47-23-44-7/h9,11-12,14-15,17-19,32,35-37,40,42H,10,13,16,20-24H2,1-8H3/b12-9+,15-14+,25-11+,26-17+/t32-,35-,36+,37-,39+/m1/s1 |
| InChIKey | SJGDRFGYLWEXEC-OWHCYTFGSA-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 | 714.851 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR10740 |