| SpectraBase Compound ID | I72kOhJ93qv |
|---|---|
| InChI | InChI=1S/C46H80O4/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-40(49)50-39-27-29-43(5)36(42(39,3)4)26-30-45(7)37(43)24-23-35-41-33(2)34(32-47)25-28-44(41,6)38(48)31-46(35,45)8/h25,33,35-39,41,47-48H,9-24,26-32H2,1-8H3 |
| InChIKey | PXZDHAAVCKSYTL-UHFFFAOYSA-N |
| Mol Weight | 697.1 g/mol |
| Molecular Formula | C46H80O4 |
| Exact Mass | 696.605661 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6bhf7FylgKV |
|---|---|
| Name | HELIANTRIOL__3-PALMITATE |
| Compound Number | 8C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H80O4 |
| InChI | InChI=1S/C46H80O4/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-40(49)50-39-27-29-43(5)36(42(39,3)4)26-30-45(7)37(43)24-23-35-41-33(2)34(32-47)25-28-44(41,6)38(48)31-46(35,45)8/h25,33,35-39,41,47-48H,9-24,26-32H2,1-8H3 |
| InChIKey | PXZDHAAVCKSYTL-UHFFFAOYSA-N |
| Literature Reference Author | T.J.SCHMIDT,J.VONRAISON,G.WILLUHN |
| Literature Reference Citation | PLANTA.MED.,70,967(2004) |
| Literature Reference DOI | 10.1055/s-2004-832624 |
| Molecular Weight | 697.139 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ48498 |