| SpectraBase Compound ID | 8Ut0rlxdnw8 |
|---|---|
| InChI | InChI=1S/C44H66O4/c1-28(2)26-30-12-14-31(15-13-30)29(3)37(45)48-36-19-20-41(8)34(40(36,6)7)18-21-43(10)35(41)17-16-32-33-27-39(4,5)22-24-44(33,38(46)47-11)25-23-42(32,43)9/h12-16,28-29,33-36H,17-27H2,1-11H3/t29-,33-,34-,35+,36-,41-,42+,43+,44-/m0/s1 |
| InChIKey | ZOGFGRUGGLTMLK-YWMOQZKOSA-N |
| Mol Weight | 659.0 g/mol |
| Molecular Formula | C44H66O4 |
| Exact Mass | 658.496111 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LIbYVcsLt7K |
|---|---|
| Name | OLEANOYL-IBUPROFENATE-METHYLESTER |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H66O4 |
| InChI | InChI=1S/C44H66O4/c1-28(2)26-30-12-14-31(15-13-30)29(3)37(45)48-36-19-20-41(8)34(40(36,6)7)18-21-43(10)35(41)17-16-32-33-27-39(4,5)22-24-44(33,38(46)47-11)25-23-42(32,43)9/h12-16,28-29,33-36H,17-27H2,1-11H3/t29-,33-,34-,35+,36-,41-,42+,43+,44-/m0/s1 |
| InChIKey | ZOGFGRUGGLTMLK-YWMOQZKOSA-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 | 659.006 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWPA3237 |