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CHEBI:63902 - (+)-thujan-3-ol

ChEBI IDCHEBI:63902
ChEBI Name(+)-thujan-3-ol
Stars
DefinitionA thujane monoterpenoid in which which a (1R,4S,5S)-thujane skeleton is substituted at C-3 with a hydroxy group, with the new asymmetric centre at C-3 having R-configuration.
Last Modified15 February 2012
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC10H18O
Net Charge0
Average Mass154.253
Monoisotopic Mass154.13577
SMILES[H][C@@]12C[C@]1(C(C)C)C[C@@H](O)[C@H]2C
InChIInChI=1S/C10H18O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-9,11H,4-5H2,1-3H3/t7-,8-,9+,10+/m0/s1
InChIKeyDZVXRFMREAADPP-AXTSPUMRSA-N
ChEBI Ontology
Outgoing Relation(s)
(+)-thujan-3-ol (CHEBI:63902) is a secondary alcohol (CHEBI:35681)
(+)-thujan-3-ol (CHEBI:63902) is a thujane monoterpenoid (CHEBI:50041)
IUPAC Name 
(1R,3R,4S,5S)-4-methyl-1(propan-2-yl)bicyclo[3.1.0]hexan-3-ol
Synonyms  Source
(1R,3R,4S,5S)-1-isopropyl-4-methylbicyclo[3.1.0]hexan-3-olIUPAC
(1R,3R,4S,5S)-4-methyl-1-(1-methylethyl)bicyclo(3.1.0)hexan-3-olChemIDplus
(+)-ThujolChemIDplus
UniProt Name  Source
(+)-thujan-3-olUniProt
Registry NumbersSources
CAS:3284-85-3ChemIDplus