| SpectraBase Compound ID | 8R8DWgqaGC4 |
|---|---|
| InChI | InChI=1S/C39H54O7/c1-34(2)17-19-39(33(44)45)20-18-37(5)25(26(39)22-34)9-11-30-35(3)15-14-31(36(4,23-40)29(35)13-16-38(30,37)6)46-32(43)12-8-24-7-10-27(41)28(42)21-24/h7-10,12,21,26,29-31,40-42H,11,13-20,22-23H2,1-6H3,(H,44,45)/b12-8+/t26-,29-,30-,31+,35+,36+,37-,38-,39+/m1/s1 |
| InChIKey | DYNMMAFSXUQKOH-QPLVNVOKSA-N |
| Mol Weight | 634.9 g/mol |
| Molecular Formula | C39H54O7 |
| Exact Mass | 634.386954 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FTxBAA7xtYH |
|---|---|
| Name | 3-BETA,23-DIHYDROXY-OLEAN-12-EN-28-OIC-ACID-3-BETA-CAFFEATE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H54O7 |
| InChI | InChI=1S/C39H54O7/c1-34(2)17-19-39(33(44)45)20-18-37(5)25(26(39)22-34)9-11-30-35(3)15-14-31(36(4,23-40)29(35)13-16-38(30,37)6)46-32(43)12-8-24-7-10-27(41)28(42)21-24/h7-10,12,21,26,29-31,40-42H,11,13-20,22-23H2,1-6H3,(H,44,45)/b12-8+/t26-,29-,30-,31+,35+,36+,37-,38-,39+/m1/s1 |
| InChIKey | DYNMMAFSXUQKOH-QPLVNVOKSA-N |
| Literature Reference Author | H.PAN,L.N.LUNDGREN,R.ANDERSSON |
| Literature Reference Citation | PHYTOCHEM.,37,795(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)90360-1 |
| Molecular Weight | 634.854 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWLU23470 |