| SpectraBase Compound ID | 1kvnk7ad4Gm |
|---|---|
| InChI | InChI=1S/C57H79N3O19/c1-34-38(75-51(68)46(65)44(36-17-11-9-12-18-36)60-52(69)79-53(3,4)5)32-57(70)49(77-50(67)37-19-13-10-14-20-37)47-55(8,48(66)45(64)43(34)54(57,6)7)39(31-40-56(47,33-74-40)78-35(2)61)76-42(63)22-21-41(62)59-24-16-26-72-28-30-73-29-27-71-25-15-23-58/h9-14,17-20,38-40,44-47,49,64-65,70H,15-16,21-33,58H2,1-8H3,(H,59,62)(H,60,69)/t38-,39-,40+,44-,45+,46+,47-,49-,55+,56-,57+/m0/s1 |
| InChIKey | RBKULUGULBZQDK-GWWYCXQASA-N |
| Mol Weight | 1110.3 g/mol |
| Molecular Formula | C57H79N3O19 |
| Exact Mass | 1109.530777 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 55hfy8GdiZ |
|---|---|
| Name | RBKULUGULBZQDK-GWWYCXQASA-N |
| Compound Number | 18 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H79N3O19 |
| InChI | InChI=1S/C57H79N3O19/c1-34-38(75-51(68)46(65)44(36-17-11-9-12-18-36)60-52(69)79-53(3,4)5)32-57(70)49(77-50(67)37-19-13-10-14-20-37)47-55(8,48(66)45(64)43(34)54(57,6)7)39(31-40-56(47,33-74-40)78-35(2)61)76-42(63)22-21-41(62)59-24-16-26-72-28-30-73-29-27-71-25-15-23-58/h9-14,17-20,38-40,44-47,49,64-65,70H,15-16,21-33,58H2,1-8H3,(H,59,62)(H,60,69)/t38-,39-,40+,44-,45+,46+,47-,49-,55+,56-,57+/m0/s1 |
| InChIKey | RBKULUGULBZQDK-GWWYCXQASA-N |
| Literature Reference Author | D.GUENARD,S.THORET,J.DUBOIS,M.T.ADELINE,Q.WANG,F.GUERITTE |
| Literature Reference Citation | BIOORG.MED.CHEM.,8,145(2000) |
| Literature Reference DOI | 10.1016/S0968-0896(99)00279-5 |
| Molecular Weight | 1110.263 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN20077 |