| SpectraBase Compound ID | 4Td3t39IOLW |
|---|---|
| InChI | InChI=1S/C40H58O5/c1-25-14-18-36(5)22-23-39(8)38(7)20-15-30-35(3,4)32(45-33(42)13-11-27-10-12-28(41)29(24-27)44-9)17-19-37(30,6)31(38)16-21-40(39,43)34(36)26(25)2/h10-13,16,21,24-26,30-32,34,41,43H,14-15,17-20,22-23H2,1-9H3/b13-11+/t25-,26+,30?,31-,32+,34?,36-,37+,38-,39+,40+/m1/s1 |
| InChIKey | RJCRFHJGGDYWLJ-LSTMKLJOSA-N |
| Mol Weight | 618.9 g/mol |
| Molecular Formula | C40H58O5 |
| Exact Mass | 618.428425 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6C3hJVkg3aW |
|---|---|
| Name | LAWSONIN;3-ALPHA-E-FERULYLOXY-URS-11-EN-13-BETA-OL |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H58O5 |
| InChI | InChI=1S/C40H58O5/c1-25-14-18-36(5)22-23-39(8)38(7)20-15-30-35(3,4)32(45-33(42)13-11-27-10-12-28(41)29(24-27)44-9)17-19-37(30,6)31(38)16-21-40(39,43)34(36)26(25)2/h10-13,16,21,24-26,30-32,34,41,43H,14-15,17-20,22-23H2,1-9H3/b13-11+/t25-,26+,30?,31-,32+,34?,36-,37+,38-,39+,40+/m1/s1 |
| InChIKey | RJCRFHJGGDYWLJ-LSTMKLJOSA-N |
| Literature Reference Author | B.S.SIDDIQUI,M.N.KARDAR |
| Literature Reference Citation | PHYTOCHEM.,58,1195(2001) |
| Literature Reference DOI | 10.1016/S0031-9422(01)00329-6 |
| Molecular Weight | 618.898 g/mol |
| Solvent | Unknown |
| Source File Reference | UWLU3133 |