| SpectraBase Compound ID | 96nKmwZ54PJ |
|---|---|
| InChI | InChI=1S/C41H58O5/c1-36(2)22-24-41(35(43)45-9)25-23-39(6)29(30(41)26-36)15-16-32-38(5)20-19-33(37(3,4)31(38)18-21-40(32,39)7)46-34(42)17-12-27-10-13-28(44-8)14-11-27/h10-15,17,30-33H,16,18-26H2,1-9H3/b17-12+/t30?,31?,32?,33-,38-,39+,40+,41-/m0/s1 |
| InChIKey | JDJFVYIDKQYTCC-ZMUFGACBSA-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 | LZyqNaHJ3f0 |
|---|---|
| Name | CIS-PARA-METHOXY-CINNAMOYLOXYOLEANOLIC-ACID-METHYLESTER |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H58O5 |
| InChI | InChI=1S/C41H58O5/c1-36(2)22-24-41(35(43)45-9)25-23-39(6)29(30(41)26-36)15-16-32-38(5)20-19-33(37(3,4)31(38)18-21-40(32,39)7)46-34(42)17-12-27-10-13-28(44-8)14-11-27/h10-15,17,30-33H,16,18-26H2,1-9H3/b17-12+/t30?,31?,32?,33-,38-,39+,40+,41-/m0/s1 |
| InChIKey | JDJFVYIDKQYTCC-ZMUFGACBSA-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 | UWUC67 |