![9-O-[HEPTACOSATRI-(E)-8'E,10',26'-ENYL-7'-OXY]-HEPTACOSA-DI-(Z)-7,26-EN-10-OL](/api/spectrum/3wlQfsSoy6C/structure.png?h=300&w=458 "9-O-[HEPTACOSATRI-(E)-8'E,10',26'-ENYL-7'-OXY]-HEPTACOSA-DI-(Z)-7,26-EN-10-OL")
| SpectraBase Compound ID | 9xKOcFwNUbO |
|---|---|
| InChI | InChI=1S/C54H100O2/c1-5-9-13-17-20-22-24-26-28-29-30-32-33-35-37-39-41-45-49-52(48-44-16-12-8-4)56-54(51-47-43-19-15-11-7-3)53(55)50-46-42-40-38-36-34-31-27-25-23-21-18-14-10-6-2/h5-6,39,41,45,47,49,51-55H,1-2,7-38,40,42-44,46,48,50H2,3-4H3/b41-39+,49-45+,51-47- |
| InChIKey | IJUUBJYIBHIEAM-WRSWXOBGSA-N |
| Mol Weight | 781.4 g/mol |
| Molecular Formula | C54H100O2 |
| Exact Mass | 780.772332 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3wlQfsSoy6C |
|---|---|
| Name | 9-O-[HEPTACOSATRI-(E)-8'E,10',26'-ENYL-7'-OXY]-HEPTACOSA-DI-(Z)-7,26-EN-10-OL |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H100O2 |
| InChI | InChI=1S/C54H100O2/c1-5-9-13-17-20-22-24-26-28-29-30-32-33-35-37-39-41-45-49-52(48-44-16-12-8-4)56-54(51-47-43-19-15-11-7-3)53(55)50-46-42-40-38-36-34-31-27-25-23-21-18-14-10-6-2/h5-6,39,41,45,47,49,51-55H,1-2,7-38,40,42-44,46,48,50H2,3-4H3/b41-39+,49-45+,51-47- |
| InChIKey | IJUUBJYIBHIEAM-WRSWXOBGSA-N |
| Literature Reference Author | P.METZGER,E.CASADEVALL |
| Literature Reference Citation | PHYTOCHEM.,30,1439(1991) |
| Literature Reference DOI | 10.1016/0031-9422(91)84181-Q |
| Molecular Weight | 781.387 g/mol |
| Solvent | C6D6 |
| Source File Reference | UWLU34327 |