| SpectraBase Compound ID | 6oFPdSMO6tI |
|---|---|
| InChI | InChI=1S/C37H58N2O13/c1-12-27-37(8,45)31(42)21(4)28(40)19(2)18-36(7,48-11)32(52-35-29(41)26(38(9)10)17-20(3)49-35)22(5)30(23(6)33(43)50-27)51-34(44)24-13-15-25(16-14-24)39(46)47/h13-16,19-23,26-27,29-32,35,41-42,45H,12,17-18H2,1-11H3/t19-,20-,21+,22+,23-,26+,27-,29-,30+,31-,32-,35+,36+,37-/m1/s1 |
| InChIKey | IKZMXVGFJSOCIJ-OOYWKCBTSA-N |
| Mol Weight | 738.9 g/mol |
| Molecular Formula | C37H58N2O13 |
| Exact Mass | 738.39389 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LpkSCjyk2Qd |
|---|---|
| Name | IKZMXVGFJSOCIJ-OOYWKCBTSA-N |
| Compound Number | 3K |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H58N2O13 |
| InChI | InChI=1S/C37H58N2O13/c1-12-27-37(8,45)31(42)21(4)28(40)19(2)18-36(7,48-11)32(52-35-29(41)26(38(9)10)17-20(3)49-35)22(5)30(23(6)33(43)50-27)51-34(44)24-13-15-25(16-14-24)39(46)47/h13-16,19-23,26-27,29-32,35,41-42,45H,12,17-18H2,1-11H3/t19-,20-,21+,22+,23-,26+,27-,29-,30+,31-,32-,35+,36+,37-/m1/s1 |
| InChIKey | IKZMXVGFJSOCIJ-OOYWKCBTSA-N |
| Literature Reference Author | T.TANIKAWA,T.ASAKA,M.KASHIMURA,Y.MISAWA,K.SUZUKI,M.SATO,K.KA MEO,S.MORIMOTO,A.NIS |
| Literature Reference Citation | J.MED.CHEM.,44,4027(2001) |
| Literature Reference DOI | 10.1021/jm015566s |
| Molecular Weight | 738.873 g/mol |
| Sample ID | 45180 |
| Solvent | CDCl3 |