CHEBI:9578 - (−)-thujopsene

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (−)-thujopsene
ChEBI ID CHEBI:9578
ChEBI ASCII Name (-)-thujopsene
Definition A thujopsene that has (S,S,S)-configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C15H24
Net Charge 0
Average Mass 204.35110
Monoisotopic Mass 204.188
InChI InChI=1S/C15H24/c1-11-6-9-14(4)8-5-7-13(2,3)15(14)10-12(11)15/h6,12H,5,7-10H2,1-4H3/t12-,14-,15-/m0/s1
InChIKey WXQGPFZDVCRBME-QEJZJMRPSA-N
SMILES CC1=CC[C@]2(C)CCCC(C)(C)[C@@]22C[C@@H]12
ChEBI Ontology
Outgoing (−)-thujopsene (CHEBI:9578) is a thujopsene (CHEBI:61736)
(−)-thujopsene (CHEBI:9578) is enantiomer of (+)-thujopsene (CHEBI:61737)
Incoming (+)-thujopsene (CHEBI:61737) is enantiomer of (−)-thujopsene (CHEBI:9578)
IUPAC Name
(1aS,4aS,8aS)-2,4a,8,8-tetramethyl-1,1a,4,4a,5,6,7,8-octahydrocyclopropa[d]naphthalene
Synonyms Sources
(−)-widdrene ChemIDplus
Thujopsene KEGG COMPOUND
Manual Xrefs Databases
C00003194 KNApSAcK
C09740 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
470-40-6 CAS Registry Number ChemIDplus
5730323 Reaxys Registry Number Reaxys
Last Modified
28 July 2014