| SpectraBase Compound ID | 5FZKxOoDXjj |
|---|---|
| InChI | InChI=1S/C39H56O6/c1-24(22-40)26-13-18-39(23-41)20-19-37(5)27(34(26)39)9-11-31-36(4)16-15-32(35(2,3)30(36)14-17-38(31,37)6)45-33(44)12-8-25-7-10-28(42)29(43)21-25/h7-8,10,12,21,26-27,30-32,34,40-43H,1,9,11,13-20,22-23H2,2-6H3/b12-8+ |
| InChIKey | JMOPEODVAOECLW-XYOKQWHBSA-N |
| Mol Weight | 620.9 g/mol |
| Molecular Formula | C39H56O6 |
| Exact Mass | 620.40769 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 | 2zFEUPwGOOa |
|---|---|
| Name | 3-BETA-O-TRANS-CAFFEOYL-29-HYDROXYBETULIN |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H56O6 |
| InChI | InChI=1S/C39H56O6/c1-24(22-40)26-13-18-39(23-41)20-19-37(5)27(34(26)39)9-11-31-36(4)16-15-32(35(2,3)30(36)14-17-38(31,37)6)45-33(44)12-8-25-7-10-28(42)29(43)21-25/h7-8,10,12,21,26-27,30-32,34,40-43H,1,9,11,13-20,22-23H2,2-6H3/b12-8+ |
| InChIKey | JMOPEODVAOECLW-XYOKQWHBSA-N |
| Literature Reference Author | H.GUO,B.G.LI,Z.J.WU,G.L.ZHANG |
| Literature Reference Citation | PLANTA.MED.,72,180(2006) |
| Literature Reference DOI | 10.1055/s-2005-873187 |
| Molecular Weight | 620.870 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ47298 |