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CHEBI:63702 - avermitilol

ChEBI IDCHEBI:63702
ChEBI Nameavermitilol
Stars
DefinitionA carbotricyclic compound that consists of decahydro-1H-1H-cyclopropa[a]naphthalene bearing four methyl substituents at position 1, 1, 3a and 7 as well as a hydroxy substituent at position 4 (the (1aR,3aS,4S,7R,7aS,7bR)-diastereomer).
Last Modified25 January 2012
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H26O
Net Charge0
Average Mass222.372
Monoisotopic Mass222.19837
SMILES[H][C@@]12[C@H](C)CC[C@H](O)[C@@]1(C)CC[C@@H]1[C@H]2C1(C)C
InChIInChI=1S/C15H26O/c1-9-5-6-11(16)15(4)8-7-10-13(12(9)15)14(10,2)3/h9-13,16H,5-8H2,1-4H3/t9-,10-,11+,12+,13-,15-/m1/s1
InChIKeyBLGPPSRDEKNCLT-CDWXYHGHSA-N
ChEBI Ontology
Outgoing Relation(s)
avermitilol (CHEBI:63702) is a carbotricyclic compound (CHEBI:38032)
avermitilol (CHEBI:63702) is a secondary alcohol (CHEBI:35681)
avermitilol (CHEBI:63702) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1aR,3aS,4S,7R,7aS,7bR)-1,1,3a,7-tetramethyldecahydro-1H-cyclopropa[a]naphthalen-4-ol
UniProt Name  Source
avermitilolUniProt
Registry NumbersSources
Reaxys:20690614Reaxys
Citations