1.0 2020-04-02 17:44:35 UTC 2025-11-19 03:07:46 UTC FDB097278 Farnesene-alpha C54H96O6 841.356 840.720690811 3,7,11-trimethyldodeca-1,3,6,10-tetraene α-farnesene [H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-31-28-25-23-20-17-14-11-8-5-2/h16,19,24,26,29-30,35,38,51H,4-15,17-18,20-23,25,27-28,31-34,36-37,39-50H2,1-3H3/b19-16-,26-24-,30-29-,38-35-/t51-/m0/s1 WKJHFGHOTZEQSN-IBKOZDTASA-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 acyclic compounds Alkatetraenes Branched unsaturated hydrocarbons Unsaturated aliphatic hydrocarbons Acyclic olefin Aliphatic acyclic compound Alkatetraene Branched unsaturated hydrocarbon Farsesane sesquiterpenoid Hydrocarbon Olefin Sesquiterpenoid Unsaturated aliphatic hydrocarbon Unsaturated hydrocarbon a sesquiterpenoid farnesene logp 5.70 ALOGPS logs -4.60 ALOGPS solubility 5.19e-03 g/l ALOGPS logp 5.14 ChemAxon iupac 3,7,11-trimethyldodeca-1,3,6,10-tetraene ChemAxon average_mass 841.356 ChemAxon mono_mass 840.720690811 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC ChemAxon formula C54H96O6 ChemAxon inchi InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-31-28-25-23-20-17-14-11-8-5-2/h16,19,24,26,29-30,35,38,51H,4-15,17-18,20-23,25,27-28,31-34,36-37,39-50H2,1-3H3/b19-16-,26-24-,30-29-,38-35-/t51-/m0/s1 ChemAxon inchikey WKJHFGHOTZEQSN-IBKOZDTASA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 73.25 ChemAxon polarizability 27.04 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 5569 Specdb::MsMs 239701 Specdb::MsMs 239702 Specdb::MsMs 239703 Specdb::MsMs 241756 Specdb::MsMs 241757 Specdb::MsMs 241758 Apple Type 1 specific Malus pumila 283210 Grape Type 1 specific Vitis 3603 Milk (Cow) Type 2 specific 31.72375 117.0 0.21 uM Pear Type 1 specific Pyrus communis 23211