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CHEBI:36524 - guaiane

ChEBI IDCHEBI:36524
ChEBI Nameguaiane
Stars
Last Modified9 October 2006
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC15H28
Net Charge0
Average Mass208.389
Monoisotopic Mass208.21910
SMILES[H][C@@]12CC[C@H](C)[C@]1([H])C[C@H](C(C)C)CC[C@@H]2C
InChIInChI=1S/C15H28/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h10-15H,5-9H2,1-4H3/t11-,12-,13+,14-,15-/m0/s1
InChIKeyQAQCPAHQVOKALN-RMEBNNNOSA-N
ChEBI Ontology
Outgoing Relation(s)
guaiane (CHEBI:36524) is a sesquiterpene (CHEBI:35189)
guaiane (CHEBI:36524) is a terpenoid fundamental parent (CHEBI:35662)
Incoming Relation(s)
guaiane sesquiterpenoid (CHEBI:36744) has parent hydride guaiane (CHEBI:36524)
guaiazulene (CHEBI:5550) has parent hydride guaiane (CHEBI:36524)
IUPAC Name 
guaiane
Synonyms  Source
(1S,3aS,4S,7R,8aS)-7-isopropyl-1,4-dimethyldecahydroazuleneIUPAC
(1S,3aS,4S,7R,8aS)-1,4-dimethyl-7-(propan-2-yl)decahydroazuleneIUPAC
Registry NumbersSources
Beilstein:2038180Beilstein