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CHEBI:46279 - (3S)-3-[(2S,3S,4R)-3,4-dimethyltetrahydrofuran-2-yl]butyl laurate

ChEBI IDCHEBI:46279
ChEBI Name(3S)-3-[(2S,3S,4R)-3,4-dimethyltetrahydrofuran-2-yl]butyl laurate
Stars
ASCII Name(3S)-3-[(2S,3S,4R)-3,4-dimethyltetrahydrofuran-2-yl]butyl laurate
Last Modified16 May 2008
DownloadsMolfile
FormulaC22H42O3
Net Charge0
Average Mass354.575
Monoisotopic Mass354.31340
SMILES[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)OC([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])[C@]1([H])OC([H])([H])[C@]([H])(C([H])([H])[H])[C@]1([H])C([H])([H])[H]
InChIInChI=1S/C22H42O3/c1-5-6-7-8-9-10-11-12-13-14-21(23)24-16-15-18(2)22-20(4)19(3)17-25-22/h18-20,22H,5-17H2,1-4H3/t18-,19-,20-,22-/m0/s1
InChIKeyTWHGDIVTXKNMOZ-XWUOBKMESA-N
ChEBI Ontology
Outgoing Relation(s)
(3S)-3-[(2S,3S,4R)-3,4-dimethyltetrahydrofuran-2-yl]butyl laurate (CHEBI:46279) is a alkyltetrahydrofuran (CHEBI:47023)
(3S)-3-[(2S,3S,4R)-3,4-dimethyltetrahydrofuran-2-yl]butyl laurate (CHEBI:46279) is a fatty acid ester (CHEBI:35748)
Synonyms  Source
(3S)-3-[(2S,3S,4R)-3,4-dimethyltetrahydrofuran-2-yl]butyl lauratePDBeChem
(3S)-3-[(2S,3S,4R)-3,4-dimethyltetrahydrofuran-2-yl]butyl dodecanoatePDBeChem
Manual XrefsDatabases
TWNPDBeChem