| SpectraBase Compound ID | csRMqfFa9n |
|---|---|
| InChI | InChI=1S/C40H58O4/c1-25(2)27-16-19-37(5)22-23-39(7)28(35(27)37)12-14-32-38(6)20-18-33(36(3,4)31(38)17-21-40(32,39)8)44-34(42)15-11-26-10-13-30(43-9)29(41)24-26/h10-11,13,15,24,27-28,31-33,35,41H,1,12,14,16-23H2,2-9H3/b15-11+/t27-,28?,31?,32?,33-,35?,37+,38-,39+,40+/m0/s1 |
| InChIKey | FKPQGZKVKUXBGD-TWCHBQLPSA-N |
| Mol Weight | 602.9 g/mol |
| Molecular Formula | C40H58O4 |
| Exact Mass | 602.43351 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9pOeaSPGkpo |
|---|---|
| Name | 20(29)-LUPENE-3-BETA-ISOFERULATE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H58O4 |
| InChI | InChI=1S/C40H58O4/c1-25(2)27-16-19-37(5)22-23-39(7)28(35(27)37)12-14-32-38(6)20-18-33(36(3,4)31(38)17-21-40(32,39)8)44-34(42)15-11-26-10-13-30(43-9)29(41)24-26/h10-11,13,15,24,27-28,31-33,35,41H,1,12,14,16-23H2,2-9H3/b15-11+/t27-,28?,31?,32?,33-,35?,37+,38-,39+,40+/m0/s1 |
| InChIKey | FKPQGZKVKUXBGD-TWCHBQLPSA-N |
| Literature Reference Author | O.WEIGENAND,A.A.HUSSEIN,N.LALL,J.J.M.MEYER |
| Literature Reference Citation | J.NAT.PROD.,67,1936(2004) |
| Literature Reference DOI | 10.1021/np030465d |
| Molecular Weight | 602.898 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ6675 |