| SpectraBase Compound ID | FYhOpS2okCk |
|---|---|
| InChI | InChI=1S/C46H60N4O6/c1-7-55-42(52)38(25-31-27-47-36-16-11-9-14-33(31)36)49-41(51)24-29(3)18-20-35-30(4)19-21-40-45(35,5)22-13-23-46(40,6)44(54)50-39(43(53)56-8-2)26-32-28-48-37-17-12-10-15-34(32)37/h9-12,14-17,27-29,35,38-40,47-48H,4,7-8,13,18-26H2,1-3,5-6H3,(H,49,51)(H,50,54)/t29-,35+,38+,39+,40-,45-,46+/m1/s1 |
| InChIKey | NTYZRANYSBDGNG-IZAKCPNESA-N |
| Mol Weight | 765.0 g/mol |
| Molecular Formula | C46H60N4O6 |
| Exact Mass | 764.451286 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cv1IkOEancX |
|---|---|
| Name | LABD-8(17)-EN-15,19-DIOIC-ACID-15,19-DITRYPTOPHANYL-ETHYLESTER-AMIDE |
| Compound Number | 20 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H60N4O6 |
| InChI | InChI=1S/C46H60N4O6/c1-7-55-42(52)38(25-31-27-47-36-16-11-9-14-33(31)36)49-41(51)24-29(3)18-20-35-30(4)19-21-40-45(35,5)22-13-23-46(40,6)44(54)50-39(43(53)56-8-2)26-32-28-48-37-17-12-10-15-34(32)37/h9-12,14-17,27-29,35,38-40,47-48H,4,7-8,13,18-26H2,1-3,5-6H3,(H,49,51)(H,50,54)/t29-,35+,38+,39+,40-,45-,46+/m1/s1 |
| InChIKey | NTYZRANYSBDGNG-IZAKCPNESA-N |
| Literature Reference Author | G.SCHMEDA-HIRSCHMANN,M.W.PERTINO,J.A.RODRIGUEZ,F.MONSALVE,D. DROGUETT,C.THEODULOZ |
| Literature Reference Citation | MOLECULES,15,7378(2010) |
| Literature Reference DOI | 10.3390/molecules15107378 |
| Molecular Weight | 765.006 g/mol |
| Sample ID | 72528 |
| Solvent | CDCl3 |