| SpectraBase Compound ID | DRimfbaIdXN |
|---|---|
| InChI | InChI=1S/C22H44O6/c1-9-13(3)11-15(5)19(23)17(7)21(24)27-20(18(8)22(25)28-26)16(6)12-14(4)10-2/h13-20,22-23,25-26H,9-12H2,1-8H3/t13-,14-,15-,16-,17+,18+,19+,20+,22?/m1/s1 |
| InChIKey | UILFDYFLUHOKTG-HDISINSQSA-N |
| Mol Weight | 404.6 g/mol |
| Molecular Formula | C22H44O6 |
| Exact Mass | 404.313789 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5BQxK530pak |
|---|---|
| Name | 2,4,6-Trimethyl-1-hydroxy-1-hydroperoxooct-3-yl hemibourgeanic acid ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H44O6 |
| InChI | InChI=1S/C22H44O6/c1-9-13(3)11-15(5)19(23)17(7)21(24)27-20(18(8)22(25)28-26)16(6)12-14(4)10-2/h13-20,22-23,25-26H,9-12H2,1-8H3/t13-,14-,15-,16-,17+,18+,19+,20+,22?/m1/s1 |
| InChIKey | UILFDYFLUHOKTG-HDISINSQSA-N |
| Molecular Weight | 404.588 g/mol |
| SMILES | O[C@]([C@@](C(O[C@]([C@@](C(OO)O)(C)[H])([C@@](C[C@@](CC)(C)[H])(C)[H])[H])=O)(C)[H])([C@@](C[C@@](CC)(C)[H])(C)[H])[H] |
| SPLASH | splash10-00kr-9400000000-57760bdcfc1da194a62f |
| Source of Spectrum | J-59-3358-76 |
| Synonyms | (2S,3S,4R,6R)-3-hydroxy-2,4,6-trimethyl-caprylic acid[(1S,2R,4R)-1-[(1S)-2-hydroperoxy-2-hydroxy-1-methyl-ethyl]-2,4-dimethyl-hexyl]ester (2S,3S,4R,6R)-3-hydroxy-2,4,6-trimethyloctanoic acid[(2S,3S,4R,6R)-1-hydroperoxy-1-hydroxy-2,4,6-trimethyloctan-3-yl]ester [(1S,2R,4R)-1-[(1S)-2-hydroperoxy-2-hydroxy-1-methyl-ethyl]-2,4-dimethyl-hexyl](2S,3S,4R,6R)-3-hydroxy-2,4,6-trimethyl-octanoate [(2S,3S,4R,6R)-1-(dioxidanyl)-2,4,6-trimethyl-1-oxidanyl-octan-3-yl](2S,3S,4R,6R)-2,4,6-trimethyl-3-oxidanyl-octanoate [(2S,3S,4R,6R)-1-hydroperoxy-1-hydroxy-2,4,6-trimethyloctan-3-yl](2S,3S,4R,6R)-3-hydroxy-2,4,6-trimethyloctanoate (2S,3S,4R,6R)-3-hydroxy-2,4,6-trimethyloctanoic acid [(2S,3S,4R,6R)-1-hydroperoxy-1-hydroxy-2,4,6-trimethyloctan-3-yl] ester [(2S,3S,4R,6R)-1-hydroperoxy-1-hydroxy-2,4,6-trimethyloctan-3-yl] (2S,3S,4R,6R)-3-hydroxy-2,4,6-trimethyloctanoate [(1S,2R,4R)-1-[(1S)-2-hydroperoxy-2-hydroxy-1-methyl-ethyl]-2,4-dimethyl-hexyl] (2S,3S,4R,6R)-3-hydroxy-2,4,6-trimethyl-octanoate [(2S,3S,4R,6R)-1-(dioxidanyl)-2,4,6-trimethyl-1-oxidanyl-octan-3-yl] (2S,3S,4R,6R)-2,4,6-trimethyl-3-oxidanyl-octanoate |
| Wiley ID | 1371321 |