![9-O-[HEPTACOSATRI-(E)-8'E,10',26'-ENYL-7'-OXY]-HEPTACOSA-DI-(Z)-7,26-EN-10-OL](/api/spectrum/6iEo64f5hb9/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 |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6iEo64f5hb9 |
|---|---|
| Name | BOTRYOCOCCOID ETHER 67 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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 |
| Instrument Name | VG70 |
| Literature Reference | METZGER ET AL, PROGR. CHEM. ORG. NAT. PROD. 57 (1991) 1- |
| Molecular Weight | 780.77 |
| SMILES | C(CCC\C=C/C(OC(CCCCCC)\C=C\C=C\CCCCCCCCCCCCCCC=C)C(CCCCCCCCCCCCCCCC=C)O)CC |
| SPLASH | splash10-0900-9301231000-f19c5e505c625ec88bd2 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |