1.02010-04-08 22:07:12 UTC2019-11-26 03:01:12 UTCFDB006574alpha-HimachaleneAlpha-himachalene is a member of the class of compounds known as himachalane and lippifoliane sesquiterpenoids. Himachalane and lippifoliane sesquiterpenoids are diterpenoids with a structure based on either the himachalane or the lippifoliane skeleton. Alpha-himachalene can be found in anise and common oregano, which makes alpha-himachalene a potential biomarker for the consumption of these food products. α-himachalenealpha-HimachaleneC15H24204.357204.1878007733,5,5-trimethyl-9-methylidene-2,4a,5,6,7,8,9,9a-octahydro-1H-benzo[7]annuleneα-himachalene3853-83-6CC1=CC2C(CC1)C(=C)CCCC2(C)CInChI=1S/C15H24/c1-11-7-8-13-12(2)6-5-9-15(3,4)14(13)10-11/h10,13-14H,2,5-9H2,1,3-4H3ZJSIKVDEOWWVEH-UHFFFAOYSA-Nlogp5.13logs-4.89solubility2.62e-03 g/llogp4.52iupac3,5,5-trimethyl-9-methylidene-2,4a,5,6,7,8,9,9a-octahydro-1H-benzo[7]annuleneaverage_mass204.357mono_mass204.187800773smilesCC1=CC2C(CC1)C(=C)CCCC2(C)CformulaC15H24inchiInChI=1S/C15H24/c1-11-7-8-13-12(2)6-5-9-15(3,4)14(13)10-11/h10,13-14H,2,5-9H2,1,3-4H3inchikeyZJSIKVDEOWWVEH-UHFFFAOYSA-Npolar_surface_area0refractivity67.45polarizability26.06rotatable_bond_count0acceptor_count0donor_count0physiological_charge0formal_charge0Specdb::CMs5630Specdb::MsMs53733Specdb::MsMs53734Specdb::MsMs53735Specdb::MsMs141135Specdb::MsMs141136Specdb::MsMs141137Specdb::MsMs3603104Specdb::MsMs3603105Specdb::MsMs3603106Specdb::MsMs3604022Specdb::MsMs3604023Specdb::MsMs360402449214AniseType 1specificPimpinella anisum271192AppleType 1specificMalus pumila283210Common oreganoType 1specificOriganum vulgare393520.80.80.8mg/100 g