| SpectraBase Compound ID | 6OcBVDcEsJv |
|---|---|
| InChI | InChI=1S/C42H72O4/c1-9-10-11-12-13-14-15-16-17-18-36(45)46-35-23-25-39(5)32(38(35,3)4)22-26-41(7)33(39)20-19-31-37-29(2)30(28-43)21-24-40(37,6)34(44)27-42(31,41)8/h21,29,31-35,37,43-44H,9-20,22-28H2,1-8H3 |
| InChIKey | XJPCGSWCYFYIED-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 | DCyAO43Zq3h |
|---|---|
| Name | HELIANTRIOL_F_3-LAURATE |
| Compound Number | 8A |
| 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)46-35-23-25-39(5)32(38(35,3)4)22-26-41(7)33(39)20-19-31-37-29(2)30(28-43)21-24-40(37,6)34(44)27-42(31,41)8/h21,29,31-35,37,43-44H,9-20,22-28H2,1-8H3 |
| InChIKey | XJPCGSWCYFYIED-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 | UWMZ48496 |