| SpectraBase Compound ID | EeRzcWuJoTl |
|---|---|
| InChI | InChI=1S/C27H45NO5/c1-17(2)15-21(24(30)33-7)28-23(29)16-18(3)9-11-20-19(4)10-12-22-26(20,5)13-8-14-27(22,6)25(31)32/h17-18,20-22H,4,8-16H2,1-3,5-7H3,(H,28,29)(H,31,32)/t18-,20+,21+,22-,26-,27+/m1/s1 |
| InChIKey | BSGWSHPJMDNLPT-KTTVECJMSA-N |
| Mol Weight | 463.7 g/mol |
| Molecular Formula | C27H45NO5 |
| Exact Mass | 463.329774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EP01WaehmJc |
|---|---|
| Name | LABD-8(17)-EN-15,19-DIOIC-ACID-15-LEUCYL-METHYLESTER-AMIDE |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H45NO5 |
| InChI | InChI=1S/C27H45NO5/c1-17(2)15-21(24(30)33-7)28-23(29)16-18(3)9-11-20-19(4)10-12-22-26(20,5)13-8-14-27(22,6)25(31)32/h17-18,20-22H,4,8-16H2,1-3,5-7H3,(H,28,29)(H,31,32)/t18-,20+,21+,22-,26-,27+/m1/s1 |
| InChIKey | BSGWSHPJMDNLPT-KTTVECJMSA-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 | 463.658 g/mol |
| Sample ID | 72522 |
| Solvent | CDCl3 |