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CHEBI:16053 - 1β,3β,4α-p-menthane-3,8-diol

ChEBI IDCHEBI:16053
ChEBI Name1β,3β,4α-p-menthane-3,8-diol
Stars
ASCII Name1beta,3beta,4alpha-p-menthane-3,8-diol
Secondary ChEBI IDCHEBI:10627
Last Modified13 November 2017
DownloadsMolfile
FormulaC10H20O2
Net Charge0
Average Mass172.268
Monoisotopic Mass172.14633
SMILESC[C@@H]1CC[C@@H](C(C)(C)O)[C@H](O)C1
InChIInChI=1S/C10H20O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-9,11-12H,4-6H2,1-3H3/t7-,8-,9-/m1/s1
InChIKeyLMXFTMYMHGYJEI-IWSPIJDZSA-N
ChEBI Ontology
Outgoing Relation(s)
1β,3β,4α-p-menthane-3,8-diol (CHEBI:16053) is a 1r,3c,4t-p-menthane-3,8-diol (CHEBI:48249)
1β,3β,4α-p-menthane-3,8-diol (CHEBI:16053) is enantiomer of 1α,3α,4β-p-menthane-3,8-diol (CHEBI:48251)
Incoming Relation(s)
1α,3α,4β-p-menthane-3,8-diol (CHEBI:48251) is enantiomer of 1β,3β,4α-p-menthane-3,8-diol (CHEBI:16053)
IUPAC Name 
(1R,2R,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol
Synonyms  Source
(1R,3R,4R)-2-hydroxy-α,α,4-trimethylcyclohexanemethanolChemIDplus
(1R,2R,5R)-2-(1-hydroxy-1-methylethyl)-5-methylcyclohexanolIUPAC
(1R,3R,4R)-p-menthane-3,8-diolChEBI
(-)-3,8-p-MenthanediolKEGG COMPOUND
UniProt Name  Source
1,4-menthane-3,8-diolUniProt
Manual XrefsDatabases
C00000148KNApSAcK
Registry NumbersSources
Beilstein:2498244Beilstein
Beilstein:5240317Beilstein
CAS:91739-72-9ChemIDplus
CAS:91739-72-9KEGG COMPOUND