1.0 2010-04-08 22:11:25 UTC 2025-11-19 00:49:05 UTC FDB014711 7(14)-Bisabolene-2,3,10,11-tetrol Mycotoxin of Fusarium sambucinum C15H28O4 272.3804 272.198759384 4-(5,6-dihydroxy-6-methylhept-1-en-2-yl)-1-methylcyclohexane-1,2-diol 4-(5,6-dihydroxy-6-methylhept-1-en-2-yl)-1-methylcyclohexane-1,2-diol 122470-42-2 CC(C)(O)C(O)CCC(=C)C1CCC(C)(O)C(O)C1 InChI=1S/C15H28O4/c1-10(5-6-12(16)14(2,3)18)11-7-8-15(4,19)13(17)9-11/h11-13,16-19H,1,5-9H2,2-4H3 DIVJRNQAZRYCIO-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 homomonocyclic compounds Cyclic alcohols and derivatives Cyclohexanols Hydrocarbon derivatives Tertiary alcohols Alcohol Aliphatic homomonocyclic compound Bisabolane sesquiterpenoid Cyclic alcohol Cyclohexanol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Secondary alcohol Sesquiterpenoid Tertiary alcohol logp 0.96 ALOGPS logs -1.74 ALOGPS solubility 4.94e+00 g/l ALOGPS logp 0.68 ChemAxon pka_strongest_acidic 13.48 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 4-(5,6-dihydroxy-6-methylhept-1-en-2-yl)-1-methylcyclohexane-1,2-diol ChemAxon average_mass 272.3804 ChemAxon mono_mass 272.198759384 ChemAxon smiles CC(C)(O)C(O)CCC(=C)C1CCC(C)(O)C(O)C1 ChemAxon formula C15H28O4 ChemAxon inchi InChI=1S/C15H28O4/c1-10(5-6-12(16)14(2,3)18)11-7-8-15(4,19)13(17)9-11/h11-13,16-19H,1,5-9H2,2-4H3 ChemAxon inchikey DIVJRNQAZRYCIO-UHFFFAOYSA-N ChemAxon polar_surface_area 80.92 ChemAxon refractivity 74.9 ChemAxon polarizability 31.16 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 4 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 133038 Specdb::NmrOneD 133039 Specdb::NmrOneD 133040 Specdb::NmrOneD 133041 Specdb::NmrOneD 133042 Specdb::NmrOneD 133043 Specdb::NmrOneD 133044 Specdb::NmrOneD 133045 Specdb::NmrOneD 133046 Specdb::NmrOneD 133047 Specdb::NmrOneD 133048 Specdb::NmrOneD 133049 Specdb::NmrOneD 133050 Specdb::NmrOneD 133051 Specdb::NmrOneD 133052 Specdb::NmrOneD 133053 Specdb::NmrOneD 133054 Specdb::NmrOneD 133055 Specdb::NmrOneD 133056 Specdb::NmrOneD 133057 Specdb::CMs 10905 Specdb::CMs 44641 Specdb::CMs 163508 Specdb::MsMs 56151 Specdb::MsMs 56152 Specdb::MsMs 56153 Specdb::MsMs 111504 Specdb::MsMs 111505 Specdb::MsMs 111506 Specdb::MsMs 2461339 Specdb::MsMs 2461340 Specdb::MsMs 2461341 Specdb::MsMs 2477372 Specdb::MsMs 2477373 Specdb::MsMs 2477374 HMDB35918 #<Reference:0x000055ce3168d418>