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CHEBI:59694 - (4aS,5R,9R,11S)-1,1,5,8,11-pentamethyl-8-vinyl-1,2,3,4,4a,5,6,7,8,9-decahydro-5,9-methanobenzocyclooctene

ChEBI IDCHEBI:59694
ChEBI Name(4aS,5R,9R,11S)-1,1,5,8,11-pentamethyl-8-vinyl-1,2,3,4,4a,5,6,7,8,9-decahydro-5,9-methanobenzocyclooctene
Stars
ASCII Name(4aS,5R,9R,11S)-1,1,5,8,11-pentamethyl-8-vinyl-1,2,3,4,4a,5,6,7,8,9-decahydro-5,9-methanobenzocyclooctene
DefinitionA halimane-diterpenoid structure originally proposed as the structure for edaxadiene (CHEBI:59685).
Last Modified1 July 2010
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC20H32
Net Charge0
Average Mass272.476
Monoisotopic Mass272.25040
SMILES[H][C@]12C=C3C(C)(C)CCC[C@@]3([H])[C@](C)(CCC1(C)C=C)[C@H]2C
InChIInChI=1S/C20H32/c1-7-19(5)11-12-20(6)14(2)16(19)13-17-15(20)9-8-10-18(17,3)4/h7,13-16H,1,8-12H2,2-6H3/t14-,15+,16+,19?,20+/m0/s1
InChIKeyLVOPFKOBFNNZTP-HQCSLPMPSA-N
ChEBI Ontology
Outgoing Relation(s)
(4aS,5R,9R,11S)-1,1,5,8,11-pentamethyl-8-vinyl-1,2,3,4,4a,5,6,7,8,9-decahydro-5,9-methanobenzocyclooctene (CHEBI:59694) is a halimane diterpenoid (CHEBI:59686)
IUPAC Name 
(4aS,5R,9R,11S)-8-ethenyl-1,1,5,8,11-pentamethyl-1,2,3,4,4a,5,6,7,8,9-decahydro-5,9-methanobenzocyclooctene
Synonym  Source
edaxadieneChEBI
Registry NumbersSources
Beilstein:12141156Beilstein
Citations