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beta-elemene; β-elemene


Name(s) beta-elemene; β-elemene
Scientific name(s)
Formula C15H24
Molecular mass 204.3511
IUPAC name (1s,2s,4r)-1-ethenyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane
INCHI InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,13-14H,1-2,4,8-10H2,3,5-6H3/t13-,14+,15-/m1/s1
SMILE CC(=C)[C@@H]1CC[C@@](C)(C=C)[C@@H](C1)C(C)=C
CAS ID 515-13-9
PubChem ID 6918391
DrugBank ID Not available
CHEBI ID Not available
Description Beta-elemene, also known as B-elemen or 2,4-diisopropenyl-1-methyl-1-vinylcyclohexane, is a member of the class of compounds known as elemane sesquiterpenoids. Elemane sesquiterpenoids are sesquiterpenoids with a structure based on the elemane skeleton. Elemane is a monocyclic compound consisting of a cyclohexane ring substituted with a methyl group, an ethyl group, and two 1-methylethyl groups at the 1-, 1-, 2-, and 4-position, respectively. Beta-elemene is a fresh, herbal, and waxy tasting compound and can be found in a number of food items such as lovage, anise, spearmint, and orange mint, which makes beta-elemene a potential biomarker for the consumption of these food products. Beta-elemene can be found primarily in saliva.