| SpectraBase Compound ID | CbNoLwNDdJr |
|---|---|
| InChI | InChI=1S/C45H78N2O15/c1-26(2)22-35(51)60-43-30(6)57-37(25-45(43,8)54)61-40-29(5)58-44(39(53)38(40)47(9)10)62-41-32(18-20-46-19-15-21-48)23-27(3)33(50)17-14-12-13-16-28(4)56-36(52)24-34(42(41)55-11)59-31(7)49/h12-14,17,26-30,32-34,37-44,46,48,50,53-54H,15-16,18-25H2,1-11H3/b13-12+,17-14+/t27-,28-,29-,30+,32+,33+,34-,37+,38-,39-,40-,41+,42+,43+,44+,45-/m1/s1 |
| InChIKey | MXKAGZARUPDOQA-LBDJMBRASA-N |
| Mol Weight | 887.1 g/mol |
| Molecular Formula | C45H78N2O15 |
| Exact Mass | 886.54022 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ELEV7ifDlz |
|---|---|
| Name | MXKAGZARUPDOQA-LBDJMBRASA-N |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H78N2O15 |
| InChI | InChI=1S/C45H78N2O15/c1-26(2)22-35(51)60-43-30(6)57-37(25-45(43,8)54)61-40-29(5)58-44(39(53)38(40)47(9)10)62-41-32(18-20-46-19-15-21-48)23-27(3)33(50)17-14-12-13-16-28(4)56-36(52)24-34(42(41)55-11)59-31(7)49/h12-14,17,26-30,32-34,37-44,46,48,50,53-54H,15-16,18-25H2,1-11H3/b13-12+,17-14+/t27-,28-,29-,30+,32+,33+,34-,37+,38-,39-,40-,41+,42+,43+,44+,45-/m1/s1 |
| InChIKey | MXKAGZARUPDOQA-LBDJMBRASA-N |
| Literature Reference Author | P.PRZYBYLSKI,K.PYTA,J.STEFANSKA,B.BRZEZINSKI,F.BARTL |
| Literature Reference Citation | MAGN.RES.CHEM.,48,286(2010) |
| Literature Reference DOI | 10.1002/mrc.2574 |
| Molecular Weight | 887.119 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWIR16532 |