| SpectraBase Compound ID | 2EA4BfyMlfi |
|---|---|
| InChI | InChI=1S/C45H71NO13/c1-10-32-18-26(2)17-27(3)19-38(54-8)41-39(55-9)21-29(5)45(52,59-41)44(24-57-44)43(51)46-16-12-11-13-33(46)42(50)58-40(30(6)34(48)23-35(32)49)28(4)20-31-14-15-36(56-25-47)37(22-31)53-7/h18,20,25,27,29-34,36-41,48,52H,10-17,19,21-24H2,1-9H3/b26-18+,28-20+/t27-,29+,30+,31-,32+,33-,34-,36+,37+,38-,39-,40+,41+,44+,45+/m0/s1 |
| InChIKey | CEIZQXMNMFUBAM-AOLRJRHPSA-N |
| Mol Weight | 834.1 g/mol |
| Molecular Formula | C45H71NO13 |
| Exact Mass | 833.492541 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5bMmRu7pNeR |
|---|---|
| Name | CEIZQXMNMFUBAM-AOLRJRHPSA-N |
| Compound Number | 5A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H71NO13 |
| InChI | InChI=1S/C45H71NO13/c1-10-32-18-26(2)17-27(3)19-38(54-8)41-39(55-9)21-29(5)45(52,59-41)44(24-57-44)43(51)46-16-12-11-13-33(46)42(50)58-40(30(6)34(48)23-35(32)49)28(4)20-31-14-15-36(56-25-47)37(22-31)53-7/h18,20,25,27,29-34,36-41,48,52H,10-17,19,21-24H2,1-9H3/b26-18+,28-20+/t27-,29+,30+,31-,32+,33-,34-,36+,37+,38-,39-,40+,41+,44+,45+/m0/s1 |
| InChIKey | CEIZQXMNMFUBAM-AOLRJRHPSA-N |
| Literature Reference Author | K.BAUMANN,K.HOEGENAUER,G.SCHULZ,A.STECK |
| Literature Reference Citation | MAGN.RES.CHEM.,40,443(2002) |
| Literature Reference DOI | 10.1002/mrc.1044 |
| Molecular Weight | 834.058 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWKP6893 |