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CHEBI:36514 - germacrane

ChEBI IDCHEBI:36514
ChEBI Namegermacrane
Stars
DefinitionThe fundamental parent of a class of sesquiterpenes with a structure based upon a cyclodecane ring substituted with an isopropyl and two methyl groups.
Last Modified26 March 2013
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC15H30
Net Charge0
Average Mass210.405
Monoisotopic Mass210.23475
SMILESCC(C)[C@@H]1CC[C@H](C)CCC[C@H](C)CC1
InChIInChI=1S/C15H30/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h12-15H,5-11H2,1-4H3/t13-,14+,15-
InChIKeyIBMAYSYTZAVZPY-QDMKHBRRSA-N
ChEBI Ontology
Outgoing Relation(s)
germacrane (CHEBI:36514) is a sesquiterpene (CHEBI:35189)
germacrane (CHEBI:36514) is a terpenoid fundamental parent (CHEBI:35662)
Incoming Relation(s)
bicyclogermacrene (CHEBI:63709) has parent hydride germacrane (CHEBI:36514)
germacrane sesquiterpenoid (CHEBI:68588) has parent hydride germacrane (CHEBI:36514)
germacranolide (CHEBI:73011) has parent hydride germacrane (CHEBI:36514)
germacrene (CHEBI:36743) has parent hydride germacrane (CHEBI:36514)
IUPAC Name 
germacrane
Synonyms  Source
(1R,4s,7S)-4-isopropyl-1,7-dimethylcyclodecaneIUPAC
(1R,4s,7S)-1,7-dimethyl-4-(propan-2-yl)cyclodecaneIUPAC