For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2,4,6-Trimethyl-1-hydroxy-1-hydroperoxooct-3-yl hemibourgeanic acid ester

View entire compound with spectra: 1 MS (GC)

2,4,6-Trimethyl-1-hydroxy-1-hydroperoxooct-3-yl hemibourgeanic acid ester
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)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5BQxK530pak
Name 2,4,6-Trimethyl-1-hydroxy-1-hydroperoxooct-3-yl hemibourgeanic acid ester
Alternate Name(s) (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
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
Wiley ID 1371321