| SpectraBase Compound ID | 4KGMXsBEDON |
|---|---|
| InChI | InChI=1S/C30H51N3O20.Na/c1-11(37)31-5-4-6-48-27-19(33-13(3)39)22(44)24(17(10-36)50-27)51-28-23(45)26(21(43)16(9-35)49-28)53-30(29(46)47)7-14(40)18(32-12(2)38)25(52-30)20(42)15(41)8-34;/h14-28,34-36,40-45H,4-10H2,1-3H3,(H,31,37)(H,32,38)(H,33,39)(H,46,47);/q;+1/p-1/t14-,15+,16-,17-,18+,19-,20+,21-,22-,23-,24-,25+,26+,27-,28+,30-;/m0./s1 |
| InChIKey | BRXOFMXQYPADFZ-KYJODKRJSA-M |
| Mol Weight | 795.7 g/mol |
| Molecular Formula | C30H50N3NaO20 |
| Exact Mass | 795.288535 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2Wwb6hV8WQF |
|---|---|
| Name | BRXOFMXQYPADFZ-KYJODKRJSA-M |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H50N3NaO20 |
| InChI | InChI=1S/C30H51N3O20.Na/c1-11(37)31-5-4-6-48-27-19(33-13(3)39)22(44)24(17(10-36)50-27)51-28-23(45)26(21(43)16(9-35)49-28)53-30(29(46)47)7-14(40)18(32-12(2)38)25(52-30)20(42)15(41)8-34;/h14-28,34-36,40-45H,4-10H2,1-3H3,(H,31,37)(H,32,38)(H,33,39)(H,46,47);/q;+1/p-1/t14-,15+,16-,17-,18+,19-,20+,21-,22-,23-,24-,25+,26+,27-,28+,30-;/m0./s1 |
| InChIKey | BRXOFMXQYPADFZ-KYJODKRJSA-M |
| Literature Reference Author | S.THOBHANI,B.EMBER,A.SIRIWARDENA,G.J.BOONS |
| Literature Reference Citation | J.AM.CHEM.SOC.,125,7154(2003) |
| Literature Reference DOI | 10.1021/ja029759w |
| Molecular Weight | 795.725 g/mol |
| Sample ID | 41105 |
| Solvent | D2O |