| SpectraBase Compound ID | JDdMJ2CFesZ |
|---|---|
| InChI | InChI=1S/C40H64N2O13/c1-12-29-40(8,49)34(46)24(4)31(44)22(2)19-39(7,50-11)35(55-37-32(45)28(42(9)10)18-23(3)52-37)25(5)33(26(6)36(47)53-29)54-30(43)20-41-38(48)51-21-27-16-14-13-15-17-27/h13-17,22-26,28-29,32-35,37,45-46,49H,12,18-21H2,1-11H3,(H,41,48)/t22-,23-,24+,25+,26-,28+,29-,32-,33+,34-,35-,37+,39+,40-/m1/s1 |
| InChIKey | XVYIRUXNADYXTE-RBSAZDKLSA-N |
| Mol Weight | 781.0 g/mol |
| Molecular Formula | C40H64N2O13 |
| Exact Mass | 780.44084 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4QGbSRB9Q0e |
|---|---|
| Name | XVYIRUXNADYXTE-RBSAZDKLSA-N |
| Compound Number | 3E |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H64N2O13 |
| InChI | InChI=1S/C40H64N2O13/c1-12-29-40(8,49)34(46)24(4)31(44)22(2)19-39(7,50-11)35(55-37-32(45)28(42(9)10)18-23(3)52-37)25(5)33(26(6)36(47)53-29)54-30(43)20-41-38(48)51-21-27-16-14-13-15-17-27/h13-17,22-26,28-29,32-35,37,45-46,49H,12,18-21H2,1-11H3,(H,41,48)/t22-,23-,24+,25+,26-,28+,29-,32-,33+,34-,35-,37+,39+,40-/m1/s1 |
| InChIKey | XVYIRUXNADYXTE-RBSAZDKLSA-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 | 780.954 g/mol |
| Sample ID | 45174 |
| Solvent | CDCl3 |