| SpectraBase Compound ID | DftEnwgQRvt |
|---|---|
| InChI | InChI=1S/C39H54O6/c1-24(2)27-15-20-38(34(43)44)21-22-39(23-45-32(42)14-9-25-7-10-26(40)11-8-25)28(33(27)38)12-13-30-36(5)18-17-31(41)35(3,4)29(36)16-19-37(30,39)6/h7-11,14,27-31,33,40-41H,1,12-13,15-23H2,2-6H3,(H,43,44)/b14-9-/t27-,28?,29?,30?,31-,33?,36-,37+,38-,39-/m0/s1 |
| InChIKey | QVDWZHZEKAIMQB-KGTWLZOJSA-N |
| Mol Weight | 618.9 g/mol |
| Molecular Formula | C39H54O6 |
| Exact Mass | 618.392039 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 1D3yf4JtFay |
|---|---|
| Name | 27-O-CIS-PARA-COUMAROYL-CYLICODISCIC-ACID |
| Compound Number | 1 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H54O6 |
| InChI | InChI=1S/C39H54O6/c1-24(2)27-15-20-38(34(43)44)21-22-39(23-45-32(42)14-9-25-7-10-26(40)11-8-25)28(33(27)38)12-13-30-36(5)18-17-31(41)35(3,4)29(36)16-19-37(30,39)6/h7-11,14,27-31,33,40-41H,1,12-13,15-23H2,2-6H3,(H,43,44)/b14-9-/t27-,28?,29?,30?,31-,33?,36-,37+,38-,39-/m0/s1 |
| InChIKey | QVDWZHZEKAIMQB-KGTWLZOJSA-N |
| Literature Reference Author | D.A.G.CORTEZ,M.C.M.YOUNG,A.MARSTON,J.L.WOLFENDER,K.HOSTETTMA NN |
| Literature Reference Citation | PHYTOCHEM.,47,1367(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00731-0 |
| Molecular Weight | 618.854 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS760 |