EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:48326 - 5-(2-hydroxyethyl)isolongifol-5-ene

ChEBI IDCHEBI:48326
ChEBI Name5-(2-hydroxyethyl)isolongifol-5-ene
Stars
Last Modified1 March 2017
Submitterhcourrier
DownloadsMolfile
FormulaC17H28O
Net Charge0
Average Mass248.410
Monoisotopic Mass248.21402
SMILESCC1(C)C2=C(CCO)CCC(C)(C)[C@]23CC[C@H]1C3
InChIInChI=1S/C17H28O/c1-15(2)8-5-12(7-10-18)14-16(3,4)13-6-9-17(14,15)11-13/h13,18H,5-11H2,1-4H3/t13-,17-/m0/s1
InChIKeyNFXJQOBAEPGJFX-GUYCJALGSA-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-(2-hydroxyethyl)isolongifol-5-ene (CHEBI:48326) has role fragrance (CHEBI:48318)
5-(2-hydroxyethyl)isolongifol-5-ene (CHEBI:48326) is a homoallylic alcohol (CHEBI:134362)
5-(2-hydroxyethyl)isolongifol-5-ene (CHEBI:48326) is a isolongifolane sesquiterpenoid (CHEBI:48418)
IUPAC Name 
2-[(1R,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-en-5-yl]ethanol
Synonym  Source
2-(2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-en-5-yl)ethanolPatent
Manual XrefsDatabases
WO2007030963Patent