| SpectraBase Compound ID | 5LDeHfOlhC1 |
|---|---|
| InChI | InChI=1S/C35H47N5O19/c1-14(41)36-25-10-11-40(35(50)39-25)33-32(56-22(9)49)30(54-20(7)47)26(37-15(2)42)29(59-33)24(13-52-18(5)45)58-34-31(55-21(8)48)27(38-16(3)43)28(53-19(6)46)23(57-34)12-51-17(4)44/h10-11,23-24,26-34H,12-13H2,1-9H3,(H,37,42)(H,38,43)(H,36,39,41,50)/t23-,24?,26+,27+,28-,29+,30-,31-,32+,33+,34+/m1/s1 |
| InChIKey | MBWUQTKAAOQRCR-GSBZLQBFSA-N |
| Mol Weight | 841.8 g/mol |
| Molecular Formula | C35H47N5O19 |
| Exact Mass | 841.286524 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CUtS8yCaCDB |
|---|---|
| Name | MBWUQTKAAOQRCR-GSBZLQBFSA-N |
| CAS Registry Number | 62973-68-6 |
| Compound Number | 10B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H47N5O19 |
| InChI | InChI=1S/C35H47N5O19/c1-14(41)36-25-10-11-40(35(50)39-25)33-32(56-22(9)49)30(54-20(7)47)26(37-15(2)42)29(59-33)24(13-52-18(5)45)58-34-31(55-21(8)48)27(38-16(3)43)28(53-19(6)46)23(57-34)12-51-17(4)44/h10-11,23-24,26-34H,12-13H2,1-9H3,(H,37,42)(H,38,43)(H,36,39,41,50)/t23-,24?,26+,27+,28-,29+,30-,31-,32+,33+,34+/m1/s1 |
| InChIKey | MBWUQTKAAOQRCR-GSBZLQBFSA-N |
| Literature Reference Author | M.VUILHORGNE,S.ENNIFAR,B.C.DAS,J.W.PASCHAL,R.NAGARAJAN,E.W.H AGAMAN,E.WENKERT |
| Literature Reference Citation | J.ORG.CHEM.,42,3289(1977) |
| Literature Reference DOI | 10.1021/jo00440a019 |
| Molecular Weight | 841.780 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS13026 |