1.0 2010-04-08 22:12:02 UTC 2018-05-29 01:21:33 UTC FDB015748 Austroinulin Isolated from Stevia rebaudiana (stevia) Austroinulin C20H34O3 322.4822 322.250794954 3,4a,8,8-tetramethyl-4-[(2Z)-3-methylpenta-2,4-dien-1-yl]-decahydronaphthalene-1,2,3-triol 3,4a,8,8-tetramethyl-4-[(2Z)-3-methylpenta-2,4-dien-1-yl]-hexahydro-1H-naphthalene-1,2,3-triol 62868-75-1 C\C(C=C)=C\CC1C(C)(O)C(O)C(O)C2C(C)(C)CCCC12C InChI=1S/C20H34O3/c1-7-13(2)9-10-14-19(5)12-8-11-18(3,4)16(19)15(21)17(22)20(14,6)23/h7,9,14-17,21-23H,1,8,10-12H2,2-6H3/b13-9- JEZOMVOAWYLQAJ-LCYFTJDESA-N belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. Diterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Diterpenoids Aliphatic homopolycyclic compounds Cyclitols and derivatives Hydrocarbon derivatives Polyols Secondary alcohols Tertiary alcohols Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Cyclitol or derivatives Diterpenoid Hydrocarbon derivative Labdane diterpenoid Organic oxygen compound Organooxygen compound Polyol Secondary alcohol Tertiary alcohol logp 3.43 ALOGPS logs -3.30 ALOGPS solubility 1.62e-01 g/l ALOGPS melting_point Mp 74-77° logp 3.1 ChemAxon pka_strongest_acidic 12.92 ChemAxon pka_strongest_basic -3.3 ChemAxon iupac 3,4a,8,8-tetramethyl-4-[(2Z)-3-methylpenta-2,4-dien-1-yl]-decahydronaphthalene-1,2,3-triol ChemAxon average_mass 322.4822 ChemAxon mono_mass 322.250794954 ChemAxon smiles C\C(C=C)=C\CC1C(C)(O)C(O)C(O)C2C(C)(C)CCCC12C ChemAxon formula C20H34O3 ChemAxon inchi InChI=1S/C20H34O3/c1-7-13(2)9-10-14-19(5)12-8-11-18(3,4)16(19)15(21)17(22)20(14,6)23/h7,9,14-17,21-23H,1,8,10-12H2,2-6H3/b13-9- ChemAxon inchikey JEZOMVOAWYLQAJ-LCYFTJDESA-N ChemAxon polar_surface_area 60.69 ChemAxon refractivity 94.87 ChemAxon polarizability 37.5 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 70884 Specdb::MsMs 70885 Specdb::MsMs 70886 Specdb::MsMs 129447 Specdb::MsMs 129448 Specdb::MsMs 129449 Specdb::MsMs 2661703 Specdb::MsMs 2661704 Specdb::MsMs 2661705 Specdb::MsMs 3019821 Specdb::MsMs 3019822 Specdb::MsMs 3019823 Specdb::CMs 12198 Specdb::CMs 45045 Specdb::CMs 158016 HMDB36802 #<Reference:0x000055ce32dfcc98>