| SpectraBase Compound ID | KurQh0VUiHQ |
|---|---|
| InChI | InChI=1S/C33H52O4/c1-20-12-17-33(28(35)36-9)19-18-31(7)23(27(33)21(20)2)10-11-25-30(6)15-14-26(37-22(3)34)29(4,5)24(30)13-16-32(25,31)8/h10,20-21,24-27H,11-19H2,1-9H3/t20-,21+,24?,25?,26+,27?,30+,31-,32-,33+/m1/s1 |
| InChIKey | HLBZSQOUBVLLLL-DSQNTSBQSA-N |
| Mol Weight | 512.8 g/mol |
| Molecular Formula | C33H52O4 |
| Exact Mass | 512.38656 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HPtE7F9k51l |
|---|---|
| Name | ACETYLURSOLIC-ACID |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H52O4 |
| InChI | InChI=1S/C33H52O4/c1-20-12-17-33(28(35)36-9)19-18-31(7)23(27(33)21(20)2)10-11-25-30(6)15-14-26(37-22(3)34)29(4,5)24(30)13-16-32(25,31)8/h10,20-21,24-27H,11-19H2,1-9H3/t20-,21+,24?,25?,26+,27?,30+,31-,32-,33+/m1/s1 |
| InChIKey | HLBZSQOUBVLLLL-DSQNTSBQSA-N |
| Literature Reference Author | G.G.SANTOS,J.C.N.ALVES,J.M.L.RODILLA,A.P.DUARTE,A.M.LITHGOW, J.G.URONES |
| Literature Reference Citation | PHYTOCHEM.,44,1309(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00680-2 |
| Molecular Weight | 512.773 g/mol |
| Solvent | C6D6 |
| Source File Reference | UWUC64 |