EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:83855 - (1S,2S)-bitertanol

ChEBI IDCHEBI:83855
ChEBI Name(1S,2S)-bitertanol
Stars
ASCII Name(1S,2S)-bitertanol
DefinitionA 1-(biphenyl-4-yloxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol that is the (1S,2S)-diastereomer of bitertanol.
Last Modified21 November 2014
SubmitterSteve
DownloadsMolfile
FormulaC20H23N3O2
Net Charge0
Average Mass337.423
Monoisotopic Mass337.17903
SMILESCC(C)(C)[C@H](O)[C@H](Oc1ccc(-c2ccccc2)cc1)n1cncn1
InChIInChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3/t18-,19+/m1/s1
InChIKeyVGPIBGGRCVEHQZ-MOPGFXCFSA-N
ChEBI Ontology
Outgoing Relation(s)
(1S,2S)-bitertanol (CHEBI:83855) is a 1-(biphenyl-4-yloxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol (CHEBI:83851)
(1S,2S)-bitertanol (CHEBI:83855) is enantiomer of (1R,2R)-bitertanol (CHEBI:83854)
Incoming Relation(s)
bitertanol (CHEBI:3130) has part (1S,2S)-bitertanol (CHEBI:83855)
(1R,2R)-bitertanol (CHEBI:83854) is enantiomer of (1S,2S)-bitertanol (CHEBI:83855)
IUPAC Name 
(1S,2S)-1-(biphenyl-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol