| SpectraBase Compound ID | 4hAVZFnPJZR |
|---|---|
| InChI | InChI=1S/C42H72O4/c1-9-10-11-12-13-14-15-16-17-18-36(45)46-35-22-23-39(6)32(38(35,4)5)21-24-40(7)33(39)20-19-30-31-27-37(2,3)25-26-42(31,29-43)34(44)28-41(30,40)8/h32-35,43-44H,9-29H2,1-8H3 |
| InChIKey | OTUAVLGFECDOIZ-UHFFFAOYSA-N |
| Mol Weight | 641.0 g/mol |
| Molecular Formula | C42H72O4 |
| Exact Mass | 640.543061 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KljzWBmUdWU |
|---|---|
| Name | HELIANTRIOL_A1_3-LAURATE |
| Compound Number | 11A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H72O4 |
| InChI | InChI=1S/C42H72O4/c1-9-10-11-12-13-14-15-16-17-18-36(45)46-35-22-23-39(6)32(38(35,4)5)21-24-40(7)33(39)20-19-30-31-27-37(2,3)25-26-42(31,29-43)34(44)28-41(30,40)8/h32-35,43-44H,9-29H2,1-8H3 |
| InChIKey | OTUAVLGFECDOIZ-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 | 641.031 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ48505 |