1.0 2010-04-08 22:11:03 UTC 2019-11-26 03:09:27 UTC FDB014037 6-Epi-beta-bisabolol Constituent of bergamot oil. 6-Epi-beta-bisabolol is found in citrus. (-)-epi-beta-Bisabolol 3-Cyclohexen-1-ol, 1-[(1R)-1,5-dimethyl-4-hexenyl]-4-methyl-, (1S)-rel- (9CI) 6-epi-b-Bisabolol epi-beta-Bisabolol C15H26O 222.3663 222.198365454 (1R)-4-methyl-1-[(2S)-6-methylhept-5-en-2-yl]cyclohex-3-en-1-ol (1R)-4-methyl-1-[(2S)-6-methylhept-5-en-2-yl]cyclohex-3-en-1-ol 235421-59-7 C[C@@H](CCC=C(C)C)[C@@]1(O)CCC(C)=CC1 InChI=1S/C15H26O/c1-12(2)6-5-7-14(4)15(16)10-8-13(3)9-11-15/h6,8,14,16H,5,7,9-11H2,1-4H3/t14-,15-/m0/s1 WTVHAMTYZJGJLJ-GJZGRUSLSA-N belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aliphatic homomonocyclic compounds Hydrocarbon derivatives Tertiary alcohols Alcohol Aliphatic homomonocyclic compound Bisabolane sesquiterpenoid Hydrocarbon derivative Organic oxygen compound Organooxygen compound Sesquiterpenoid Tertiary alcohol logp 4.77 ALOGPS logs -3.46 ALOGPS solubility 7.68e-02 g/l ALOGPS logp 3.99 ChemAxon pka_strongest_basic -0.49 ChemAxon iupac (1R)-4-methyl-1-[(2S)-6-methylhept-5-en-2-yl]cyclohex-3-en-1-ol ChemAxon average_mass 222.3663 ChemAxon mono_mass 222.198365454 ChemAxon smiles C[C@@H](CCC=C(C)C)[C@@]1(O)CCC(C)=CC1 ChemAxon formula C15H26O ChemAxon inchi InChI=1S/C15H26O/c1-12(2)6-5-7-14(4)15(16)10-8-13(3)9-11-15/h6,8,14,16H,5,7,9-11H2,1-4H3/t14-,15-/m0/s1 ChemAxon inchikey WTVHAMTYZJGJLJ-GJZGRUSLSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 72.11 ChemAxon polarizability 28.29 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22163 Specdb::CMs 44352 Specdb::CMs 164737 Specdb::MsMs 52176 Specdb::MsMs 52177 Specdb::MsMs 52178 Specdb::MsMs 112860 Specdb::MsMs 112861 Specdb::MsMs 112862 Specdb::MsMs 2270710 Specdb::MsMs 2270711 Specdb::MsMs 2270712 Specdb::MsMs 3068075 Specdb::MsMs 3068076 Specdb::MsMs 3068077 HMDB35364 #<Reference:0x000055ce334c3748> Citrus Unknown generic