| SpectraBase Compound ID | 2jh01Wnr84U |
|---|---|
| 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/h19,31-35,43-44H,9-18,20-29H2,1-8H3 |
| InChIKey | OCWQBKDABYCBPW-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 | 8IjyfG8aTUQ |
|---|---|
| Name | LONGISPINOGENIN_3-LAURATE |
| Compound Number | 10A |
| 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/h19,31-35,43-44H,9-18,20-29H2,1-8H3 |
| InChIKey | OCWQBKDABYCBPW-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 | UWMZ48501 |