| SpectraBase Compound ID | 2AABQbzo0U7 |
|---|---|
| InChI | InChI=1S/C39H54O6/c1-34(2)18-20-39(33(43)44)21-19-37(6)25(26(39)23-34)10-12-30-36(5)16-15-31(35(3,4)29(36)14-17-38(30,37)7)45-32(42)13-9-24-8-11-27(40)28(41)22-24/h8-11,13,22,26,29-31,40-41H,12,14-21,23H2,1-7H3,(H,43,44)/b13-9+/t26-,29+,30-,31+,36+,37-,38-,39+/m1/s1 |
| InChIKey | OJEUMHQEAMVIBI-YWDNYDSNSA-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 | IBB3Sg0sx5r |
|---|---|
| Name | OLEANOLIC-ACID-3-BETA-CAFFEATE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 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)25(26(39)23-34)10-12-30-36(5)16-15-31(35(3,4)29(36)14-17-38(30,37)7)45-32(42)13-9-24-8-11-27(40)28(41)22-24/h8-11,13,22,26,29-31,40-41H,12,14-21,23H2,1-7H3,(H,43,44)/b13-9+/t26-,29+,30-,31+,36+,37-,38-,39+/m1/s1 |
| InChIKey | OJEUMHQEAMVIBI-YWDNYDSNSA-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 | 618.854 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWLU23469 |