| SpectraBase Compound ID | Lur2HAtDY7i |
|---|---|
| InChI | InChI=1S/C35H38N2O12/c1-17(38)42-27-23-31(44-21-15-40-29(46-25(21)27)19-11-7-5-8-12-19)48-33(36-23)35(3,4)34-37-24-28(43-18(2)39)26-22(45-32(24)49-34)16-41-30(47-26)20-13-9-6-10-14-20/h5-14,21-32H,15-16H2,1-4H3/t21-,22-,23-,24-,25-,26-,27+,28+,29-,30-,31-,32-/m1/s1 |
| InChIKey | NNXLFLLIIMVDSP-MWTXLEQXSA-N |
| Mol Weight | 678.7 g/mol |
| Molecular Formula | C35H38N2O12 |
| Exact Mass | 678.242475 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EECMC9vIvyr |
|---|---|
| Name | 3-O-AC-ALLO-BOX |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H38N2O12 |
| InChI | InChI=1S/C35H38N2O12/c1-17(38)42-27-23-31(44-21-15-40-29(46-25(21)27)19-11-7-5-8-12-19)48-33(36-23)35(3,4)34-37-24-28(43-18(2)39)26-22(45-32(24)49-34)16-41-30(47-26)20-13-9-6-10-14-20/h5-14,21-32H,15-16H2,1-4H3/t21-,22-,23-,24-,25-,26-,27+,28+,29-,30-,31-,32-/m1/s1 |
| InChIKey | NNXLFLLIIMVDSP-MWTXLEQXSA-N |
| Literature Reference Author | T.MINUTH,M.M.K.BOYSEN |
| Literature Reference Citation | BEIL.J.ORG.CHEM.,6,23,1(2010) |
| Molecular Weight | 678.693 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT10044 |