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CHEBI:50251 - (4R,7R)-7-isopropyl-4-methyloxepan-2-one

Default Structure
ChEBI IDCHEBI:50251
ChEBI Name(4R,7R)-7-isopropyl-4-methyloxepan-2-one
Stars
ASCII Name(4R,7R)-7-isopropyl-4-methyloxepan-2-one
DefinitionA 7-isopropyl-4-methyloxepan-2-one in which both stereocentres have R configuration.
Last Modified6 September 2017
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC10H18O2
Net Charge0
Average Mass170.252
Monoisotopic Mass170.13068
SMILESCC(C)[C@H]1CC[C@@H](C)CC(=O)O1
InChIInChI=1S/C10H18O2/c1-7(2)9-5-4-8(3)6-10(11)12-9/h7-9H,4-6H2,1-3H3/t8-,9-/m1/s1
InChIKeyGGAXPLCKKANQED-RKDXNWHRSA-N
ChEBI Ontology
Outgoing Relation(s)
(4R,7R)-7-isopropyl-4-methyloxepan-2-one (CHEBI:50251) is a 7-isopropyl-4-methyloxepan-2-one (CHEBI:50243)
IUPAC Name 
(4R,7R)-4-methyl-7-(propan-2-yl)oxepan-2-one
Synonyms  Source
(3R,6R)-6-hydroxy-3,7-dimethyloctanoic acid lactoneChEBI
(4R,7R)-4-methyl-7-(1-methylethyl)oxepan-2-oneIUPAC
Manual XrefsDatabases
LMPR0102090055LIPID MAPS
Registry NumbersSources
Beilstein:5477031Beilstein