| SpectraBase Compound ID | Awh1wkBHkuN |
|---|---|
| InChI | InChI=1S/C32H44N2O5/c1-20(11-13-24-21(2)12-14-27-31(24,3)15-8-16-32(27,4)30(37)38)17-28(35)34-26(29(36)39-5)18-22-19-33-25-10-7-6-9-23(22)25/h6-7,9-10,19-20,26-27,33H,8,11-18H2,1-5H3,(H,34,35)(H,37,38)/t20-,26+,27-,31-,32+/m1/s1 |
| InChIKey | INXPUVSVSYJUFY-IMAODNNNSA-N |
| Mol Weight | 536.7 g/mol |
| Molecular Formula | C32H44N2O5 |
| Exact Mass | 536.325023 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3krviXqCjlS |
|---|---|
| Name | LABD-8(9)-EN-15,19-DIOIC-ACID-15-TRYPTOPHANYL-METHYLESTER-AMIDE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H44N2O5 |
| InChI | InChI=1S/C32H44N2O5/c1-20(11-13-24-21(2)12-14-27-31(24,3)15-8-16-32(27,4)30(37)38)17-28(35)34-26(29(36)39-5)18-22-19-33-25-10-7-6-9-23(22)25/h6-7,9-10,19-20,26-27,33H,8,11-18H2,1-5H3,(H,34,35)(H,37,38)/t20-,26+,27-,31-,32+/m1/s1 |
| InChIKey | INXPUVSVSYJUFY-IMAODNNNSA-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 | 536.712 g/mol |
| Sample ID | 72514 |
| Solvent | CDCl3 |