CHEBI:181653 - Isopetasol

ChEBI IDCHEBI:181653
ChEBI NameIsopetasol
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FormulaC15H22O2
Net Charge0
Average Mass234.339
Monoisotopic Mass234.16198
SMILESCC(C)=C1C[C@@]2(C)C(=CC1=O)CC[C@@H](O)[C@@H]2C
InChIInChI=1S/C15H22O2/c1-9(2)12-8-15(4)10(3)13(16)6-5-11(15)7-14(12)17/h7,10,13,16H,5-6,8H2,1-4H3/t10-,13+,15+/m0/s1
InChIKeyTVDMUSYVWJLIDK-PSOPSSQASA-N
ChEBI Ontology
Outgoing Relation(s)
Isopetasol (CHEBI:181653) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(4aR,5R,6R)-6-hydroxy-4a,5-dimethyl-3-propan-2-ylidene-5,6,7,8-tetrahydro-4H-naphthalen-2-one
Manual XrefsDatabases
9921298ChemSpider
Registry NumbersSources
CAS:469-67-0ChemIDplus