| SpectraBase Compound ID | CHl001p2lON |
|---|---|
| InChI | InChI=1S/C41H58O5/c1-26-18-23-41(36(43)45-9)25-24-39(6)30(35(41)27(26)2)15-16-32-38(5)21-20-33(37(3,4)31(38)19-22-40(32,39)7)46-34(42)17-12-28-10-13-29(44-8)14-11-28/h10-15,17,26-27,31-33,35H,16,18-25H2,1-9H3/b17-12+/t26-,27+,31?,32?,33+,35?,38+,39-,40-,41+/m1/s1 |
| InChIKey | RWAWTPSWDHPKOC-CHSKTKEVSA-N |
| Mol Weight | 630.9 g/mol |
| Molecular Formula | C41H58O5 |
| Exact Mass | 630.428425 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9AhZPA6XzdF |
|---|---|
| Name | CIS-PARA-METHOXY-CINNAMOYLOXY-URSOLIC-ACID-METHYLESTER |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H58O5 |
| InChI | InChI=1S/C41H58O5/c1-26-18-23-41(36(43)45-9)25-24-39(6)30(35(41)27(26)2)15-16-32-38(5)21-20-33(37(3,4)31(38)19-22-40(32,39)7)46-34(42)17-12-28-10-13-29(44-8)14-11-28/h10-15,17,26-27,31-33,35H,16,18-25H2,1-9H3/b17-12+/t26-,27+,31?,32?,33+,35?,38+,39-,40-,41+/m1/s1 |
| InChIKey | RWAWTPSWDHPKOC-CHSKTKEVSA-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 | 630.909 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWUC66 |