| SpectraBase Compound ID | MYvR83eM7a |
|---|---|
| InChI | InChI=1S/C40H54O/c1-32(19-12-21-34(3)22-13-23-35(4)24-15-26-37(6)31-41)17-10-11-18-33(2)20-14-25-36(5)28-29-39-38(7)27-16-30-40(39,8)9/h10-15,17-26,28-29,41H,16,27,30-31H2,1-9H3/b11-10+,19-12+,20-14+,22-13+,24-15+,29-28+,32-17+,33-18+,34-21+,35-23+,36-25+,37-26+ |
| InChIKey | DOLAYTVSJQMCNE-HMHVFHPLSA-N |
| Mol Weight | 550.9 g/mol |
| Molecular Formula | C40H54O |
| Exact Mass | 550.417466 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CLPEtGwhtdh |
|---|---|
| Name | 16'-HYDROXY-TORULENE;ALL-(E)-3',4'-DIDEHYDRO-BETA,OMEGA-CAROTEN-16'-OL |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H54O |
| InChI | InChI=1S/C40H54O/c1-32(19-12-21-34(3)22-13-23-35(4)24-15-26-37(6)31-41)17-10-11-18-33(2)20-14-25-36(5)28-29-39-38(7)27-16-30-40(39,8)9/h10-15,17-26,28-29,41H,16,27,30-31H2,1-9H3/b11-10+,19-12+,20-14+,22-13+,24-15+,29-28+,32-17+,33-18+,34-21+,35-23+,36-25+,37-26+ |
| InChIKey | DOLAYTVSJQMCNE-HMHVFHPLSA-N |
| Literature Reference Author | S.HERZ,R.W.S.WEBER,H.ANKE,A.MUCCI,P.DAVOLI |
| Literature Reference Citation | PHYTOCHEM.,68,2503(2007) |
| Literature Reference DOI | 10.1016/j.phytochem.2007.05.019 |
| Molecular Weight | 550.868 g/mol |
| Sample ID | 63081 |
| Solvent | CDCl3 |