| SpectraBase Compound ID | 7mUWn7NUz9d |
|---|---|
| InChI | InChI=1S/C33H36N2O14/c1-16(36)44-15-26-28(46-17(2)37)29(47-18(3)38)30(48-19(4)39)31(49-26)35-27(40)13-25(32(41)42)34-33(43)45-14-24-22-11-7-5-9-20(22)21-10-6-8-12-23(21)24/h5-12,24-26,28-31H,13-15H2,1-4H3,(H,34,43)(H,35,40)(H,41,42)/t25-,26+,28+,29-,30+,31+/m1/s1 |
| InChIKey | NCEAGRHWPMBXDK-ZSNZRCOJSA-N |
| Mol Weight | 684.7 g/mol |
| Molecular Formula | C33H36N2O14 |
| Exact Mass | 684.216654 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GBieQBxjn5S |
|---|---|
| Name | NCEAGRHWPMBXDK-ZSNZRCOJSA-N |
| Compound Number | 33 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H36N2O14 |
| InChI | InChI=1S/C33H36N2O14/c1-16(36)44-15-26-28(46-17(2)37)29(47-18(3)38)30(48-19(4)39)31(49-26)35-27(40)13-25(32(41)42)34-33(43)45-14-24-22-11-7-5-9-20(22)21-10-6-8-12-23(21)24/h5-12,24-26,28-31H,13-15H2,1-4H3,(H,34,43)(H,35,40)(H,41,42)/t25-,26+,28+,29-,30+,31+/m1/s1 |
| InChIKey | NCEAGRHWPMBXDK-ZSNZRCOJSA-N |
| Literature Reference Author | E.MEINJOHANNS,M.MELDAL,H.PAULSEN,R.A.DWEK,K.BOCK |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,549(1999) |
| Literature Reference DOI | 10.1039/a705528e |
| Molecular Weight | 684.654 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWPA646 |