| SpectraBase Compound ID | EcXBaqg5L8E |
|---|---|
| InChI | InChI=1S/C38H54O8/c1-8-9-10-11-12-13-14-15-16-17-18-19-31(41)46-35-28(23-44-26(4)39)21-29-32-30(36(32,6)7)20-25(3)37(33(29)42)22-24(2)34(38(35,37)43)45-27(5)40/h16-19,21-22,25,29-30,32,34-35,43H,8-15,20,23H2,1-7H3/b17-16-,19-18+/t25-,29+,30-,32+,34+,35-,37+,38-/m1/s1 |
| InChIKey | VVFSBLRQOLPWNL-NFQJYYFASA-N |
| Mol Weight | 638.8 g/mol |
| Molecular Formula | C38H54O8 |
| Exact Mass | 638.381869 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | i8mJ4gOhOr |
|---|---|
| Name | 3,20-O-DIACETYLINGENOL_5-O-(2'E,4'Z)-TETRADECADIENOATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H54O8 |
| InChI | InChI=1S/C38H54O8/c1-8-9-10-11-12-13-14-15-16-17-18-19-31(41)46-35-28(23-44-26(4)39)21-29-32-30(36(32,6)7)20-25(3)37(33(29)42)22-24(2)34(38(35,37)43)45-27(5)40/h16-19,21-22,25,29-30,32,34-35,43H,8-15,20,23H2,1-7H3/b17-16-,19-18+/t25-,29+,30-,32+,34+,35-,37+,38-/m1/s1 |
| InChIKey | VVFSBLRQOLPWNL-NFQJYYFASA-N |
| Literature Reference Author | Y.-P.SHI,Z.-J.JIA,B.MA,S.SALEH,J.LAHHAM |
| Literature Reference Citation | PLANTA.MED.,62,260(1996) |
| Literature Reference DOI | 10.1055/s-2006-957873 |
| Molecular Weight | 638.842 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UIAP831 |