| SpectraBase Compound ID | 3vcKzluTC6J |
|---|---|
| InChI | InChI=1S/C42H72O4/c1-10-11-12-13-14-15-16-17-18-19-36(45)46-35-23-24-39(6)31(38(35,4)5)22-25-40(7)32(39)21-20-30-37-29(3)28(2)26-33(43)42(37,9)34(44)27-41(30,40)8/h26,29-35,37,43-44H,10-25,27H2,1-9H3 |
| InChIKey | IUYYHGPKHITFHN-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 | 3a6tZoAJeVq |
|---|---|
| Name | HELIANTRIOL_C_3-LAURATE |
| Compound Number | 7A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H72O4 |
| InChI | InChI=1S/C42H72O4/c1-10-11-12-13-14-15-16-17-18-19-36(45)46-35-23-24-39(6)31(38(35,4)5)22-25-40(7)32(39)21-20-30-37-29(3)28(2)26-33(43)42(37,9)34(44)27-41(30,40)8/h26,29-35,37,43-44H,10-25,27H2,1-9H3 |
| InChIKey | IUYYHGPKHITFHN-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 | UWMZ48492 |