| SpectraBase Compound ID | 6XQ7ZNX7FZb |
|---|---|
| InChI | InChI=1S/C39H54O5/c1-34(2)20-22-39(33(42)43)23-21-37(6)27(28(39)24-34)13-14-30-36(5)18-17-31(35(3,4)29(36)16-19-38(30,37)7)44-32(41)15-10-25-8-11-26(40)12-9-25/h8-13,15,28-31,40H,14,16-24H2,1-7H3,(H,42,43)/b15-10+/t28-,29-,30+,31-,36-,37+,38+,39-/m0/s1 |
| InChIKey | PSKOYUFGDWKJBO-CEDKKCENSA-N |
| Mol Weight | 602.9 g/mol |
| Molecular Formula | C39H54O5 |
| Exact Mass | 602.397125 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GVu7bMKPH0O |
|---|---|
| Name | 3-BETA-O-(E)-ISOFERULOYL-OLEANOLIC-ACID |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H54O5 |
| InChI | InChI=1S/C39H54O5/c1-34(2)20-22-39(33(42)43)23-21-37(6)27(28(39)24-34)13-14-30-36(5)18-17-31(35(3,4)29(36)16-19-38(30,37)7)44-32(41)15-10-25-8-11-26(40)12-9-25/h8-13,15,28-31,40H,14,16-24H2,1-7H3,(H,42,43)/b15-10+/t28-,29-,30+,31-,36-,37+,38+,39-/m0/s1 |
| InChIKey | PSKOYUFGDWKJBO-CEDKKCENSA-N |
| Literature Reference Author | A.E.NKENGFACK,T.W.VOUFFO,J.C.VARDAMIDES,J.KOUAM,Z.T.FOMUM,M. MEYER,O.STERNER |
| Literature Reference Citation | PHYTOCHEM.,46,573(1997) |
| Literature Reference DOI | 10.1016/s0031-9422(97)00291-4 |
| Molecular Weight | 602.855 g/mol |
| Sample ID | 44904 |
| Solvent | CDCl3 |