| SpectraBase Compound ID | 1tZPYX9jHrR |
|---|---|
| InChI | InChI=1S/C39H54O6/c1-23-16-19-39(34(43)44)21-20-37(6)27(32(39)24(23)2)13-14-30-36(5)22-28(41)33(35(3,4)29(36)17-18-38(30,37)7)45-31(42)15-10-25-8-11-26(40)12-9-25/h8-13,15,23-24,28-30,32-33,40-41H,14,16-22H2,1-7H3,(H,43,44)/b15-10-/t23-,24+,28-,29+,30-,32+,33+,36+,37-,38-,39+/m1/s1 |
| InChIKey | FEVUQLLYZLSRLB-XURUTGAWSA-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 | FEVia04KTN |
|---|---|
| Name | 3-BETA-O-CIS-PARA-COUMAROYL-2-ALPHA-HYDROXY-URS-12-EN-28-OIC-ACID |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H54O6 |
| InChI | InChI=1S/C39H54O6/c1-23-16-19-39(34(43)44)21-20-37(6)27(32(39)24(23)2)13-14-30-36(5)22-28(41)33(35(3,4)29(36)17-18-38(30,37)7)45-31(42)15-10-25-8-11-26(40)12-9-25/h8-13,15,23-24,28-30,32-33,40-41H,14,16-22H2,1-7H3,(H,43,44)/b15-10-/t23-,24+,28-,29+,30-,32+,33+,36+,37-,38-,39+/m1/s1 |
| InChIKey | FEVUQLLYZLSRLB-XURUTGAWSA-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 | UWLU25133 |