| SpectraBase Compound ID | EJtj3O8axW4 |
|---|---|
| InChI | InChI=1S/C36H48N12O10.2C2HF3O2/c1-16(18-5-3-2-4-6-18)25-32(56)42-20(11-17-7-9-19(50)10-8-17)31(55)47-27(29(53)22-13-41-36(38)45-22)34(58)48-26(28(52)21-12-40-35(37)44-21)33(57)43-23(15-49)30(54)39-14-24(51)46-25;2*3-2(4,5)1(6)7/h2-10,16,20-23,25-29,49-50,52-53H,11-15H2,1H3,(H,39,54)(H,42,56)(H,43,57)(H,46,51)(H,47,55)(H,48,58)(H3,37,40,44)(H3,38,41,45);2*(H,6,7)/t16-,20-,21-,22-,23+,25+,26-,27+,28-,29-;;/m1../s1 |
| InChIKey | DVLFKDHZUWTZLJ-IVERXWJTSA-N |
| Mol Weight | 1036.9 g/mol |
| Molecular Formula | C40H50F6N12O14 |
| Exact Mass | 1036.347363 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3FeGMH69RSx |
|---|---|
| Name | DVLFKDHZUWTZLJ-IVERXWJTSA-N |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H50F6N12O14 |
| InChI | InChI=1S/C36H48N12O10.2C2HF3O2/c1-16(18-5-3-2-4-6-18)25-32(56)42-20(11-17-7-9-19(50)10-8-17)31(55)47-27(29(53)22-13-41-36(38)45-22)34(58)48-26(28(52)21-12-40-35(37)44-21)33(57)43-23(15-49)30(54)39-14-24(51)46-25;2*3-2(4,5)1(6)7/h2-10,16,20-23,25-29,49-50,52-53H,11-15H2,1H3,(H,39,54)(H,42,56)(H,43,57)(H,46,51)(H,47,55)(H,48,58)(H3,37,40,44)(H3,38,41,45);2*(H,6,7)/t16-,20-,21-,22-,23+,25+,26-,27+,28-,29-;;/m1../s1 |
| InChIKey | DVLFKDHZUWTZLJ-IVERXWJTSA-N |
| Literature Reference Author | H.HE,R.T.WILLIAMSON,B.SHEN,E.I.GRAZIANI,H.Y.YANG,S.M.SAKYA,P .J.PETERSON,G.T.CART |
| Literature Reference Citation | J.AM.CHEM.SOC.,124,9729(2002) |
| Literature Reference DOI | 10.1021/ja020257s |
| Molecular Weight | 1036.899 g/mol |
| Sample ID | 34135 |
| Solvent | DMSO-D6 |