1.0 2010-04-08 22:11:02 UTC 2025-11-19 00:42:14 UTC FDB014023 4beta-8-Daucen-4-ol Constituent of Daucus carota (carrot). 4beta-8-Daucen-4-ol is found in root vegetables. C15H26O 222.3663 222.198365454 3a,6-dimethyl-1-(propan-2-yl)-1,2,3,3a,4,7,8,8a-octahydroazulen-1-ol 1-isopropyl-3a,6-dimethyl-2,3,4,7,8,8a-hexahydroazulen-1-ol 255062-40-9 CC(C)C1(O)CCC2(C)CC=C(C)CCC12 InChI=1S/C15H26O/c1-11(2)15(16)10-9-14(4)8-7-12(3)5-6-13(14)15/h7,11,13,16H,5-6,8-10H2,1-4H3 HTJLBKLQZZOCAC-UHFFFAOYSA-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 homopolycyclic compounds Cyclic alcohols and derivatives Hydrocarbon derivatives Tertiary alcohols Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Daucane sesquiterpenoid Hydrocarbon derivative Organic oxygen compound Organooxygen compound Sesquiterpenoid Tertiary alcohol logp 4.45 ALOGPS logs -3.51 ALOGPS solubility 6.90e-02 g/l ALOGPS logp 3.71 ChemAxon pka_strongest_basic -0.052 ChemAxon iupac 3a,6-dimethyl-1-(propan-2-yl)-1,2,3,3a,4,7,8,8a-octahydroazulen-1-ol ChemAxon average_mass 222.3663 ChemAxon mono_mass 222.198365454 ChemAxon smiles CC(C)C1(O)CCC2(C)CC=C(C)CCC12 ChemAxon formula C15H26O ChemAxon inchi InChI=1S/C15H26O/c1-11(2)15(16)10-9-14(4)8-7-12(3)5-6-13(14)15/h7,11,13,16H,5-6,8-10H2,1-4H3 ChemAxon inchikey HTJLBKLQZZOCAC-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 69.2 ChemAxon polarizability 27.46 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25892 Specdb::CMs 44343 Specdb::CMs 130896 Specdb::CMs 138630 Specdb::MsMs 69708 Specdb::MsMs 69709 Specdb::MsMs 69710 Specdb::MsMs 128040 Specdb::MsMs 128041 Specdb::MsMs 128042 Specdb::MsMs 2422755 Specdb::MsMs 2422756 Specdb::MsMs 2422757 Specdb::MsMs 2512824 Specdb::MsMs 2512825 Specdb::MsMs 2512826 HMDB35351 #<Reference:0x000055ce2f4ec048> Root vegetables Unknown generic