| SpectraBase Compound ID | Aci70MdefHj |
|---|---|
| InChI | InChI=1S/C33H37N3O13/c1-16(37)34-28-30(48-19(4)40)29(47-18(3)39)26(15-45-17(2)38)49-31(28)36-27(41)13-25(32(42)43)35-33(44)46-14-24-22-11-7-5-9-20(22)21-10-6-8-12-23(21)24/h5-12,24-26,28-31H,13-15H2,1-4H3,(H,34,37)(H,35,44)(H,36,41)(H,42,43)/t25-,26+,28+,29+,30+,31+/m1/s1 |
| InChIKey | QOACISSHGAAMLK-NOQNHELASA-N |
| Mol Weight | 683.7 g/mol |
| Molecular Formula | C33H37N3O13 |
| Exact Mass | 683.232638 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ItqvVpk07Y0 |
|---|---|
| Name | QOACISSHGAAMLK-NOQNHELASA-N |
| Compound Number | 31 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H37N3O13 |
| InChI | InChI=1S/C33H37N3O13/c1-16(37)34-28-30(48-19(4)40)29(47-18(3)39)26(15-45-17(2)38)49-31(28)36-27(41)13-25(32(42)43)35-33(44)46-14-24-22-11-7-5-9-20(22)21-10-6-8-12-23(21)24/h5-12,24-26,28-31H,13-15H2,1-4H3,(H,34,37)(H,35,44)(H,36,41)(H,42,43)/t25-,26+,28+,29+,30+,31+/m1/s1 |
| InChIKey | QOACISSHGAAMLK-NOQNHELASA-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 | 683.669 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWPA644 |