| SpectraBase Compound ID | 5achRa6YI9d |
|---|---|
| InChI | InChI=1S/C39H54O6/c1-34(2)18-20-39(33(43)44)21-19-37(6)26(27(39)22-34)13-14-30-36(5)23-28(41)32(35(3,4)29(36)16-17-38(30,37)7)45-31(42)15-10-24-8-11-25(40)12-9-24/h8-13,15,27-30,32,40-41H,14,16-23H2,1-7H3,(H,43,44)/b15-10-/t27-,28+,29-,30+,32-,36-,37+,38+,39-/m0/s1 |
| InChIKey | KWLOAKAXMOYBRK-JHXZZHGESA-N |
| Mol Weight | 618.9 g/mol |
| Molecular Formula | C39H54O6 |
| Exact Mass | 618.392039 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 499spqLe1HC |
|---|---|
| Name | 3-BETA-O-CIS-PARA-COUMAROYLMASLINIC-ACID |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H54O6 |
| InChI | InChI=1S/C39H54O6/c1-34(2)18-20-39(33(43)44)21-19-37(6)26(27(39)22-34)13-14-30-36(5)23-28(41)32(35(3,4)29(36)16-17-38(30,37)7)45-31(42)15-10-24-8-11-25(40)12-9-24/h8-13,15,27-30,32,40-41H,14,16-23H2,1-7H3,(H,43,44)/b15-10-/t27-,28+,29-,30+,32-,36-,37+,38+,39-/m0/s1 |
| InChIKey | KWLOAKAXMOYBRK-JHXZZHGESA-N |
| Literature Reference Author | H.HAEBERLEIN,K.P.TSCHIERSCH |
| Literature Reference Citation | PHYTOCHEM.,35,765(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)90601-0 |
| Molecular Weight | 618.854 g/mol |
| Solvent | CDCl3:1DROP-CD3OD |
| Source File Reference | UWLU25132 |