| SpectraBase Compound ID | Id1Cff4bbtX |
|---|---|
| InChI | InChI=1S/C43H64O4/c1-27(2)25-29-11-13-30(14-12-29)28(3)36(44)47-35-18-19-40(8)33(39(35,6)7)17-20-42(10)34(40)16-15-31-32-26-38(4,5)21-23-43(32,37(45)46)24-22-41(31,42)9/h11-15,27-28,32-35H,16-26H2,1-10H3,(H,45,46)/t28-,32-,33-,34+,35-,40-,41+,42+,43-/m0/s1 |
| InChIKey | PGMYSGGCLRFLGK-RPBOSRSISA-N |
| Mol Weight | 645.0 g/mol |
| Molecular Formula | C43H64O4 |
| Exact Mass | 644.480461 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GFUSku8S6mJ |
|---|---|
| Name | OLEANOYL-IBUPROFENATE |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H64O4 |
| InChI | InChI=1S/C43H64O4/c1-27(2)25-29-11-13-30(14-12-29)28(3)36(44)47-35-18-19-40(8)33(39(35,6)7)17-20-42(10)34(40)16-15-31-32-26-38(4,5)21-23-43(32,37(45)46)24-22-41(31,42)9/h11-15,27-28,32-35H,16-26H2,1-10H3,(H,45,46)/t28-,32-,33-,34+,35-,40-,41+,42+,43-/m0/s1 |
| InChIKey | PGMYSGGCLRFLGK-RPBOSRSISA-N |
| Literature Reference Author | C.THEODULOZ,C.DELPORTE,G.VALENZUELA-BARRA,X.SILVA,S.CADIZ,F. BUSTAMANTE,M.W.PERTI |
| Literature Reference Citation | MOLECULES,20,11219(2015) |
| Literature Reference DOI | 10.3390/molecules200611219 |
| Molecular Weight | 644.979 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWPA3236 |