| 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 | 3e0lSYubjlc |
|---|---|
| Name | 3-O-(E)-COUMAROYL-OLEANOLIC-ACID |
| Compound Number | 3 |
| 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 | C.R.LIAO,Y.H.KUO,Y.L.HO,C.Y.WANG,C.S.YANG,C.W.LIN,Y.S.CHANG |
| Literature Reference Citation | MOLECULES,19,9515(2014) |
| Literature Reference DOI | 10.3390/molecules19079515 |
| Molecular Weight | 602.855 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWIR14829 |