CHEBI:206624 - Almadioxide

ChEBI IDCHEBI:206624
ChEBI NameAlmadioxide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22BrClO2
Net Charge0
Average Mass349.696
Monoisotopic Mass348.04917
SMILESCC1(C)[C@@H]2C[C@@H]3O[C@]3(C)[C@]13C[C@H](Br)[C@@](C)(Cl)C[C@H]3O2
InChIInChI=1S/C15H22BrClO2/c1-12(2)9-5-10-14(4,19-10)15(12)6-8(16)13(3,17)7-11(15)18-9/h8-11H,5-7H2,1-4H3/t8-,9-,10-,11+,13-,14-,15-/m0/s1
InChIKeyFRPLQWPAMFUPFL-UENJMYAUSA-N
ChEBI Ontology
Outgoing Relation(s)
Almadioxide (CHEBI:206624) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,3S,4S,6R,8S,10S,12R)-3-bromo-4-chloro-4,12,13,13-tetramethyl-7,11-dioxatetracyclo[6.4.1.01,6.010,12]tridecane
Manual XrefsDatabases
21183880ChemSpider