| SpectraBase Compound ID | JpBe8mWRRMa |
|---|---|
| InChI | InChI=1S/C26H43NO5/c1-16(2)22(23(29)32-7)27-21(28)15-17(3)9-11-19-18(4)10-12-20-25(19,5)13-8-14-26(20,6)24(30)31/h16-17,19-20,22H,4,8-15H2,1-3,5-7H3,(H,27,28)(H,30,31)/t17-,19+,20-,22+,25-,26+/m1/s1 |
| InChIKey | UGSCYLCLIPMDSG-BPMBBSKHSA-N |
| Mol Weight | 449.6 g/mol |
| Molecular Formula | C26H43NO5 |
| Exact Mass | 449.314123 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Ovhq5tB2gv |
|---|---|
| Name | LABD-8(17)-EN-15,19-DIOIC-ACID-15-VALYL-METHYLESTER-AMIDE |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H43NO5 |
| InChI | InChI=1S/C26H43NO5/c1-16(2)22(23(29)32-7)27-21(28)15-17(3)9-11-19-18(4)10-12-20-25(19,5)13-8-14-26(20,6)24(30)31/h16-17,19-20,22H,4,8-15H2,1-3,5-7H3,(H,27,28)(H,30,31)/t17-,19+,20-,22+,25-,26+/m1/s1 |
| InChIKey | UGSCYLCLIPMDSG-BPMBBSKHSA-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 | 449.631 g/mol |
| Sample ID | 72521 |
| Solvent | CDCl3 |