| SpectraBase Compound ID | 9J84SbkalyZ |
|---|---|
| InChI | InChI=1S/C48H84O4/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-42(51)52-41-29-31-45(5)38(44(41,3)4)28-32-47(7)39(45)26-25-37-43-35(2)36(34-49)27-30-46(43,6)40(50)33-48(37,47)8/h27,35,37-41,43,49-50H,9-26,28-34H2,1-8H3 |
| InChIKey | RDHNHVQZBYOYBQ-UHFFFAOYSA-N |
| Mol Weight | 725.2 g/mol |
| Molecular Formula | C48H84O4 |
| Exact Mass | 724.636961 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6WNdauB5z9T |
|---|---|
| Name | HELIANTRIOL_F_3-STEARATE |
| Compound Number | 8D |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H84O4 |
| InChI | InChI=1S/C48H84O4/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-42(51)52-41-29-31-45(5)38(44(41,3)4)28-32-47(7)39(45)26-25-37-43-35(2)36(34-49)27-30-46(43,6)40(50)33-48(37,47)8/h27,35,37-41,43,49-50H,9-26,28-34H2,1-8H3 |
| InChIKey | RDHNHVQZBYOYBQ-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 | 725.193 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ48499 |