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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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
Formula C20H32
Net Charge 0
Average Mass 272.46810
Monoisotopic Mass 272.250
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 Waiting for Citations Type Source
15568794 PubMed citation Europe PMC
Last Modified
01 July 2010