| SpectraBase Compound ID | 8qzJjKJJOba |
|---|---|
| InChI | InChI=1S/C42H72O4/c1-9-10-11-12-13-14-15-16-17-18-36(45)46-35-23-24-39(6)32(38(35,4)5)22-25-40(7)33(39)20-19-31-37-30(29(2)3)21-26-42(37,28-43)34(44)27-41(31,40)8/h30-35,37,43-44H,2,9-28H2,1,3-8H3 |
| InChIKey | VLODVUXSQDGJOX-UHFFFAOYSA-N |
| Mol Weight | 641.0 g/mol |
| Molecular Formula | C42H72O4 |
| Exact Mass | 640.543061 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LLusJUzXoFa |
|---|---|
| Name | HELIANTRIOL_B2_3-LAURATE |
| Compound Number | 13A |
| 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)46-35-23-24-39(6)32(38(35,4)5)22-25-40(7)33(39)20-19-31-37-30(29(2)3)21-26-42(37,28-43)34(44)27-41(31,40)8/h30-35,37,43-44H,2,9-28H2,1,3-8H3 |
| InChIKey | VLODVUXSQDGJOX-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 | UWMZ48510 |