| SpectraBase Compound ID | AA6pdfUusJi |
|---|---|
| InChI | InChI=1S/C39H54O7/c1-23(2)25-13-18-39(34(44)45)20-19-37(5)26(33(25)39)9-11-30-35(3)16-15-31(36(4,22-40)29(35)14-17-38(30,37)6)46-32(43)12-8-24-7-10-27(41)28(42)21-24/h7-8,10,12,21,25-26,29-31,33,40-42H,1,9,11,13-20,22H2,2-6H3,(H,44,45)/b12-8+/t25-,26+,29+,30+,31-,33+,35-,36-,37+,38+,39-/m0/s1 |
| InChIKey | SAYWOIZAPMGEFK-CODPKKIVSA-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 | 6ogA8LxfqSU |
|---|---|
| Name | 3-BETA,23-DIHYDROXY-LUP-20(29)-EN-28-OIC-ACID-3-BETA-CAFFEATE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H54O7 |
| InChI | InChI=1S/C39H54O7/c1-23(2)25-13-18-39(34(44)45)20-19-37(5)26(33(25)39)9-11-30-35(3)16-15-31(36(4,22-40)29(35)14-17-38(30,37)6)46-32(43)12-8-24-7-10-27(41)28(42)21-24/h7-8,10,12,21,25-26,29-31,33,40-42H,1,9,11,13-20,22H2,2-6H3,(H,44,45)/b12-8+/t25-,26+,29+,30+,31-,33+,35-,36-,37+,38+,39-/m0/s1 |
| InChIKey | SAYWOIZAPMGEFK-CODPKKIVSA-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 | UWLU23474 |