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CHEBI:48329 - 5-(1-oxopropan-2-yl)isolongifol-5-ene

ChEBI IDCHEBI:48329
ChEBI Name5-(1-oxopropan-2-yl)isolongifol-5-ene
Stars
Last Modified1 February 2008
Submitterhcourrier
DownloadsMolfile
FormulaC18H28O
Net Charge0
Average Mass260.421
Monoisotopic Mass260.21402
SMILESCC(C=O)C1=C2C(C)(C)[C@H]3CC[C@@]2(C3)C(C)(C)CC1
InChIInChI=1S/C18H28O/c1-12(11-19)14-7-8-16(2,3)18-9-6-13(10-18)17(4,5)15(14)18/h11-13H,6-10H2,1-5H3/t12?,13-,18-/m0/s1
InChIKeyUZEYTOTWRRZDNB-UAGUUWOPSA-N
Roles Classification
Application:
fragrance  A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.
ChEBI Ontology
Outgoing Relation(s)
5-(1-oxopropan-2-yl)isolongifol-5-ene (CHEBI:48329) has role fragrance (CHEBI:48318)
5-(1-oxopropan-2-yl)isolongifol-5-ene (CHEBI:48329) is a isolongifolane sesquiterpenoid (CHEBI:48418)
IUPAC Name 
2-[(1S,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-en-5-yl]propanal
Synonym  Source
2-(2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-en-5-yl)propanalPatent
Manual XrefsDatabases
WO2007030963Patent