1.0 2010-04-08 22:11:02 UTC 2018-05-29 01:09:07 UTC FDB014009 Sterebin A Isolated from leaves of Stevia rebaudiana (stevia) 6a,7b,8a-Trihydroxy-14,15-dinor-11-labden-13-one Sterebin A C18H30O4 310.4284 310.214409448 (3E)-4-(2,3,4-trihydroxy-2,5,5,8a-tetramethyl-decahydronaphthalen-1-yl)but-3-en-2-one (3E)-4-(2,3,4-trihydroxy-2,5,5,8a-tetramethyl-hexahydro-1H-naphthalen-1-yl)but-3-en-2-one 107647-14-3 CC(=O)\C=C\C1C(C)(O)C(O)C(O)C2C(C)(C)CCCC12C InChI=1S/C18H30O4/c1-11(19)7-8-12-17(4)10-6-9-16(2,3)14(17)13(20)15(21)18(12,5)22/h7-8,12-15,20-22H,6,9-10H2,1-5H3/b8-7+ GUVJPXABQYFWPD-BQYQJAHWSA-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 Acryloyl compounds Cyclitols and derivatives Enones Hydrocarbon derivatives Ketones Organic oxides Polyols Secondary alcohols Tertiary alcohols Acryloyl-group Alcohol Aliphatic homopolycyclic compound Alpha,beta-unsaturated ketone Carbonyl group Cyclic alcohol Cyclitol or derivatives Enone Hydrocarbon derivative Ketone Megastigmane sesquiterpenoid Organic oxide Organic oxygen compound Organooxygen compound Polyol Secondary alcohol Sesquiterpenoid Tertiary alcohol logp 1.80 ALOGPS logs -2.74 ALOGPS solubility 5.62e-01 g/l ALOGPS melting_point Mp 157-158° logp 1.64 ChemAxon pka_strongest_acidic 12.91 ChemAxon pka_strongest_basic -3.3 ChemAxon iupac (3E)-4-(2,3,4-trihydroxy-2,5,5,8a-tetramethyl-decahydronaphthalen-1-yl)but-3-en-2-one ChemAxon average_mass 310.4284 ChemAxon mono_mass 310.214409448 ChemAxon smiles CC(=O)\C=C\C1C(C)(O)C(O)C(O)C2C(C)(C)CCCC12C ChemAxon formula C18H30O4 ChemAxon inchi InChI=1S/C18H30O4/c1-11(19)7-8-12-17(4)10-6-9-16(2,3)14(17)13(20)15(21)18(12,5)22/h7-8,12-15,20-22H,6,9-10H2,1-5H3/b8-7+ ChemAxon inchikey GUVJPXABQYFWPD-BQYQJAHWSA-N ChemAxon polar_surface_area 77.76 ChemAxon refractivity 86.54 ChemAxon polarizability 35.18 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20971 Specdb::CMs 44339 Specdb::CMs 135748 Specdb::CMs 143482 Specdb::MsMs 64650 Specdb::MsMs 64651 Specdb::MsMs 64652 Specdb::MsMs 121878 Specdb::MsMs 121879 Specdb::MsMs 121880 Specdb::MsMs 2752534 Specdb::MsMs 2752535 Specdb::MsMs 2752536 Specdb::MsMs 2929884 Specdb::MsMs 2929885 Specdb::MsMs 2929886 HMDB35337 #<Reference:0x000055ce2dc38fd8>