| SpectraBase Compound ID | Enx4YnOq36K |
|---|---|
| InChI | InChI=1S/C39H51NO5/c1-24(2)11-10-14-27(35(44)45-23-40-33(42)25-12-8-9-13-26(25)34(40)43)28-17-21-39(7)30-15-16-31-36(3,4)32(41)19-20-37(31,5)29(30)18-22-38(28,39)6/h8-9,11-13,15,18,27-28,31-32,41H,10,14,16-17,19-23H2,1-7H3/t27?,28-,31+,32+,37-,38-,39+/m1/s1 |
| InChIKey | VSOKIWMYCNAUDK-FKFGZOQLSA-N |
| Mol Weight | 613.8 g/mol |
| Molecular Formula | C39H51NO5 |
| Exact Mass | 613.376724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GFVdVFFABxy |
|---|---|
| Name | 3-BETA-HYDROXYLANOSTA-7,9(11),24-TRIEN-21-OIC-ACID-METHANE-N-PHTHALIMIDYLESTER |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H51NO5 |
| InChI | InChI=1S/C39H51NO5/c1-24(2)11-10-14-27(35(44)45-23-40-33(42)25-12-8-9-13-26(25)34(40)43)28-17-21-39(7)30-15-16-31-36(3,4)32(41)19-20-37(31,5)29(30)18-22-38(28,39)6/h8-9,11-13,15,18,27-28,31-32,41H,10,14,16-17,19-23H2,1-7H3/t27?,28-,31+,32+,37-,38-,39+/m1/s1 |
| InChIKey | VSOKIWMYCNAUDK-FKFGZOQLSA-N |
| Literature Reference Author | T.TAI,A.AKAHORI,T.SHINGU |
| Literature Reference Citation | PHYTOCHEM.,32,1239(1993) |
| Literature Reference DOI | 10.1016/S0031-9422(00)95099-4 |
| Molecular Weight | 613.838 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU6391 |