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(9S)-9-[(2S,4S,5S)-4-acetoxy-5-amyl-tetrahydrofuran-2-yl]-9-hydroxy-pelargonic acid methyl ester
SpectraBase Compound ID K2UrLvYAPRk
InChI InChI=1S/C21H38O6/c1-4-5-9-13-18-20(26-16(2)22)15-19(27-18)17(23)12-10-7-6-8-11-14-21(24)25-3/h17-20,23H,4-15H2,1-3H3/t17-,18-,19-,20-/m0/s1
InChIKey PXQJQNMXMOPNLB-MUGJNUQGSA-N
Mol Weight 386.5 g/mol
Molecular Formula C21H38O6
Exact Mass 386.266839 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1gIeVgWqLc
Name (9S)-9-[(2S,4S,5S)-4-acetoxy-5-amyl-tetrahydrofuran-2-yl]-9-hydroxy-pelargonic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H38O6
InChI InChI=1S/C21H38O6/c1-4-5-9-13-18-20(26-16(2)22)15-19(27-18)17(23)12-10-7-6-8-11-14-21(24)25-3/h17-20,23H,4-15H2,1-3H3/t17-,18-,19-,20-/m0/s1
InChIKey PXQJQNMXMOPNLB-MUGJNUQGSA-N
Molecular Weight 386.529 g/mol
SMILES O[C@@](CCCCCCCC(=O)OC)([C@@]1([H])O[C@]([C@](C1)(OC(C)=O)[H])(CCCCC)[H])[H]
SPLASH splash10-000l-4900000000-ad803e6fc26758dade2a
Source of Spectrum F-54-2237-13
Synonyms (9S)-9-[(2S,4S,5S)-4-acetyloxy-5-pentyl-2-oxolanyl]-9-hydroxynonanoic acid methyl ester Methyl (9S)-9-[(2S,4S,5S)-4-acetoxy-5-pentyl-tetrahydrofuran-2-yl]-9-hydroxy-nonanoate Methyl (9S)-9-[(2S,4S,5S)-4-acetyloxy-5-pentyl-oxolan-2-yl]-9-oxidanyl-nonanoate Methyl (9S)-9-[(2S,4S,5S)-4-acetyloxy-5-pentyloxolan-2-yl]-9-hydroxynonanoate
Wiley ID 805928