| SpectraBase Compound ID | GlSTU121DtZ |
|---|---|
| InChI | InChI=1S/C33H50O4/c1-22(2)21-26-11-13-27(14-12-26)25(5)30(34)37-20-17-23(3)9-15-28-24(4)10-16-29-32(28,6)18-8-19-33(29,7)31(35)36/h11-14,22-23,25,28-29H,4,8-10,15-21H2,1-3,5-7H3,(H,35,36)/t23-,25+,28?,29?,32-,33+/m1/s1 |
| InChIKey | JOEXUJWMLSIZSO-SNDYJHGDSA-N |
| Mol Weight | 510.8 g/mol |
| Molecular Formula | C33H50O4 |
| Exact Mass | 510.37091 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fl4YmklNAhU |
|---|---|
| Name | IMBRICATOL-15-YL-IBUPROFENATE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H50O4 |
| InChI | InChI=1S/C33H50O4/c1-22(2)21-26-11-13-27(14-12-26)25(5)30(34)37-20-17-23(3)9-15-28-24(4)10-16-29-32(28,6)18-8-19-33(29,7)31(35)36/h11-14,22-23,25,28-29H,4,8-10,15-21H2,1-3,5-7H3,(H,35,36)/t23-,25+,28?,29?,32-,33+/m1/s1 |
| InChIKey | JOEXUJWMLSIZSO-SNDYJHGDSA-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 | 510.758 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWPA3232 |