| SpectraBase Compound ID | 9nAn10Elm1Z |
|---|---|
| InChI | InChI=1S/C42H68O13/c1-37(2)14-16-42(36(50)51)17-15-40(6)21(22(42)18-37)8-9-26-39(5)12-11-27(38(3,4)25(39)10-13-41(26,40)7)54-35-33(31(48)29(46)24(20-44)53-35)55-34-32(49)30(47)28(45)23(19-43)52-34/h8,22-35,43-49H,9-20H2,1-7H3,(H,50,51)/t22?,23-,24-,25?,26?,27+,28-,29-,30+,31+,32-,33-,34+,35+,39+,40-,41-,42+/m1/s1 |
| InChIKey | LEQCLUFJRGKLOA-ZDXNEZIWSA-N |
| Mol Weight | 781.0 g/mol |
| Molecular Formula | C42H68O13 |
| Exact Mass | 780.465992 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CQypAJpKPrK |
|---|---|
| Name | OLEANOLIC-ACID-3-SOPHOROSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H68O13 |
| InChI | InChI=1S/C42H68O13/c1-37(2)14-16-42(36(50)51)17-15-40(6)21(22(42)18-37)8-9-26-39(5)12-11-27(38(3,4)25(39)10-13-41(26,40)7)54-35-33(31(48)29(46)24(20-44)53-35)55-34-32(49)30(47)28(45)23(19-43)52-34/h8,22-35,43-49H,9-20H2,1-7H3,(H,50,51)/t22?,23-,24-,25?,26?,27+,28-,29-,30+,31+,32-,33-,34+,35+,39+,40-,41-,42+/m1/s1 |
| InChIKey | LEQCLUFJRGKLOA-ZDXNEZIWSA-N |
| Literature Reference Author | F.ORSINI,F.PELIZZONI,G.RICCA,L.VEROTTA |
| Literature Reference Citation | PHYTOCHEM.,26,1101(1987) |
| Literature Reference DOI | 10.1016/S0031-9422(00)82358-4 |
| Molecular Weight | 780.994 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK530 |