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

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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 ChEBI ID CHEBI:59694 ChEBI 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 Definition A halimane-diterpenoid structure originally proposed as the structure for edaxadiene (CHEBI:59685). Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C20H32 Net Charge 0 Average Mass 272.46810 Monoisotopic Mass 272.25040 InChI InChI=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 InChIKey LVOPFKOBFNNZTP-HQCSLPMPSA-N SMILES [H][C@@]12CCCC(C)(C)C1=C[C@]1([H])[C@H](C)[C@@]2(C)CCC1(C)C=C ChEBI Ontology Outgoing (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 edaxadiene ChEBI Registry Number Type Source 12141156 Beilstein Registry Number Beilstein Citation Type Source 15568794 PubMed citation Europe PMC Last Modified 01 July 2010