| SpectraBase Compound ID | 3GUofCJaOBZ |
|---|---|
| InChI | InChI=1S/C29H49BrO3/c1-23(13-9-15-25(3)17-19-27(30)29(5,6)31)11-7-8-12-24(2)14-10-16-26(4)18-20-28-32-21-22-33-28/h11-12,15-16,27-28,31H,7-10,13-14,17-22H2,1-6H3/b23-11+,24-12+,25-15+,26-16+ |
| InChIKey | NKNINLGSYYHSOB-LMAPJASHSA-N |
| Mol Weight | 525.6 g/mol |
| Molecular Formula | C29H49BrO3 |
| Exact Mass | 524.286508 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AbHpL5PWo3p |
|---|---|
| Name | (6E,10E,14E,18E)-3-Bromo-21-(1,3-dixolan-2-yl)-2,6,10,15,19-pentamethylhenicosa-6,10,14,18-tetraen-2-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H49BrO3 |
| InChI | InChI=1S/C29H49BrO3/c1-23(13-9-15-25(3)17-19-27(30)29(5,6)31)11-7-8-12-24(2)14-10-16-26(4)18-20-28-32-21-22-33-28/h11-12,15-16,27-28,31H,7-10,13-14,17-22H2,1-6H3/b23-11+,24-12+,25-15+,26-16+ |
| InChIKey | NKNINLGSYYHSOB-LMAPJASHSA-N |
| Molecular Weight | 525.612 g/mol |
| SMILES | OC(C(CC\C(=C\CC\C(=C\CC\C=C\(CC\C=C\(CCC1OCCO1)C)C)C)C)Br)(C)C |
| SPLASH | splash10-004i-0000090000-6930cd880653da685b13 |
| Source of Spectrum | K-2002-1483-16 |
| Synonyms | (6E,10E,14E,18E)-3-bromo-21-(1,3-dioxolan-2-yl)-2,6,10,15,19-pentamethyl-2-heneicosa-6,10,14,18-tetraenol (6E,10E,14E,18E)-3-bromo-21-(1,3-dioxolan-2-yl)-2,6,10,15,19-pentamethylhenicosa-6,10,14,18-tetraen-2-ol (6E,10E,14E,18E)-3-bromo-21-(1,3-dioxolan-2-yl)-2,6,10,15,19-pentamethyl-henicosa-6,10,14,18-tetraen-2-ol (6E,10E,14E,18E)-3-bromanyl-21-(1,3-dioxolan-2-yl)-2,6,10,15,19-pentamethyl-henicosa-6,10,14,18-tetraen-2-ol |
| Wiley ID | 1581362 |