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CHEBI:193568 - iritremulanol A

ChEBI IDCHEBI:193568
ChEBI Nameiritremulanol A
Stars
DefinitionA carbobicyclic compound that is 1,2,3,3a,4,5,6,7-octahydroazulene substituted by methyl groups at positions 2, 2, 4 and 8, and by a hydroxymethyl group at position 8 (the 5R,8R,8aR-stereoisomer). It is a sesquiterpenoid synthesised by heterologous expression of a sesquiterpene synthase from the basidiomycete Irpex lacteus.
Last Modified9 January 2023
SubmitterTereza Calounova
DownloadsMolfile
FormulaC15H26O
Net Charge0
Average Mass222.372
Monoisotopic Mass222.19837
SMILES[H][C@]12CC(C)(C)CC1=C(C)[C@H](CO)CC[C@H]2C
InChIInChI=1S/C15H26O/c1-10-5-6-12(9-16)11(2)14-8-15(3,4)7-13(10)14/h10,12-13,16H,5-9H2,1-4H3/t10-,12+,13-/m1/s1
InChIKeyKHEHCZVHTQVPHH-KGYLQXTDSA-N
ChEBI Ontology
Outgoing Relation(s)
iritremulanol A (CHEBI:193568) is a carbobicyclic compound (CHEBI:36785)
iritremulanol A (CHEBI:193568) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(5R,8R,8aR)-2,2,4,8-tetramethyl-1,2,3,5,6,7,8,8a-octahydroazulen-5-yl]methanol
Citations