1.0 2010-04-08 22:11:22 UTC 2019-11-26 03:10:25 UTC FDB014603 Furanoeremophilane Constituent of Petasites japonicus (sweet coltsfoot). Furanoeremophilane is found in giant butterbur and green vegetables. 10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane Furoeremophilane C15H22O 218.3346 218.167065326 3,4a,5-trimethyl-4H,4aH,5H,6H,7H,8H,8aH,9H-naphtho[2,3-b]furan 3,4a,5-trimethyl-4H,5H,6H,7H,8H,8aH,9H-naphtho[2,3-b]furan 6750-13-6 CC1CCCC2CC3=C(CC12C)C(C)=CO3 InChI=1S/C15H22O/c1-10-9-16-14-7-12-6-4-5-11(2)15(12,3)8-13(10)14/h9,11-12H,4-8H2,1-3H3 LCYZOSVRKHROOX-UHFFFAOYSA-N belongs to the class of organic compounds known as eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids. These are sesquiterpenoids with a structure based either on the eremophilane skeleton, its 8,9-seco derivative, or the furoeremophilane skeleton. Eremophilanes have been shown to be derived from eudesmanes by migration of the methyl group at C-10 to C-5. Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aromatic heteropolycyclic compounds Benzofurans Furans Heteroaromatic compounds Hydrocarbon derivatives Naphthofurans Organooxygen compounds Oxacyclic compounds Aromatic heteropolycyclic compound Benzofuran Furan Furoeremophilane sesquiterpenoid Heteroaromatic compound Hydrocarbon derivative Naphthofuran Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle logp 5.23 ALOGPS logs -4.43 ALOGPS solubility 8.18e-03 g/l ALOGPS logp 4.43 ChemAxon pka_strongest_basic -1.5 ChemAxon iupac 3,4a,5-trimethyl-4H,4aH,5H,6H,7H,8H,8aH,9H-naphtho[2,3-b]furan ChemAxon average_mass 218.3346 ChemAxon mono_mass 218.167065326 ChemAxon smiles CC1CCCC2CC3=C(CC12C)C(C)=CO3 ChemAxon formula C15H22O ChemAxon inchi InChI=1S/C15H22O/c1-10-9-16-14-7-12-6-4-5-11(2)15(12,3)8-13(10)14/h9,11-12H,4-8H2,1-3H3 ChemAxon inchikey LCYZOSVRKHROOX-UHFFFAOYSA-N ChemAxon polar_surface_area 13.14 ChemAxon refractivity 66.65 ChemAxon polarizability 26.63 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17350 Specdb::CMs 134441 Specdb::CMs 142175 Specdb::MsMs 101445 Specdb::MsMs 101446 Specdb::MsMs 101447 Specdb::MsMs 167076 Specdb::MsMs 167077 Specdb::MsMs 167078 Specdb::MsMs 2832090 Specdb::MsMs 2832091 Specdb::MsMs 2832092 Specdb::MsMs 2849944 Specdb::MsMs 2849945 Specdb::MsMs 2849946 HMDB35835 #<Reference:0x000055ce316e0640> Giant butterbur Type 1 specific Petasites japonicus 186965 Green vegetables Unknown generic