1.0 2010-04-08 22:08:07 UTC 2025-11-18 23:11:00 UTC FDB008509 (20E)-Ginsenoside F4 Isolated from ginseng. (20E)-Ginsenoside F4 is found in tea. (20E)-Ginsenoside F4 C42H70O12 766.998 766.486727704 2-{[2-({5,16-dihydroxy-2,6,6,10,11-pentamethyl-14-[(2E)-6-methylhepta-2,5-dien-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-8-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol 2-{[2-({5,16-dihydroxy-2,6,6,10,11-pentamethyl-14-[(2E)-6-methylhepta-2,5-dien-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-8-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol 22427-39-0 CC1OC(OC2C(O)C(O)C(CO)OC2OC2CC3(C)C(CC(O)C4C(CCC34C)C(\C)=C\CC=C(C)C)C3(C)CCC(O)C(C)(C)C23)C(O)C(O)C1O InChI=1S/C42H70O12/c1-20(2)11-10-12-21(3)23-13-16-41(8)29(23)24(44)17-27-40(7)15-14-28(45)39(5,6)36(40)25(18-42(27,41)9)52-38-35(33(49)31(47)26(19-43)53-38)54-37-34(50)32(48)30(46)22(4)51-37/h11-12,22-38,43-50H,10,13-19H2,1-9H3/b21-12+ QOMBXPYXWGTFNR-CIAFOILYSA-N belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Triterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Triterpenoids Aliphatic heteropolycyclic compounds 12-hydroxysteroids 3-hydroxysteroids Acetals Cyclic alcohols and derivatives Disaccharides Hydrocarbon derivatives O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols 12-hydroxysteroid 3-hydroxysteroid Acetal Alcohol Aliphatic heteropolycyclic compound Cyclic alcohol Disaccharide Glycosyl compound Hydrocarbon derivative Hydroxysteroid O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Steroid Triterpenoid logp 2.51 ALOGPS logs -3.84 ALOGPS solubility 1.11e-01 g/l ALOGPS melting_point Mp 177-181° logp 2.64 ChemAxon pka_strongest_acidic 12.1 ChemAxon pka_strongest_basic -0.45 ChemAxon iupac 2-{[2-({5,16-dihydroxy-2,6,6,10,11-pentamethyl-14-[(2E)-6-methylhepta-2,5-dien-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-8-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol ChemAxon average_mass 766.998 ChemAxon mono_mass 766.486727704 ChemAxon smiles CC1OC(OC2C(O)C(O)C(CO)OC2OC2CC3(C)C(CC(O)C4C(CCC34C)C(\C)=C\CC=C(C)C)C3(C)CCC(O)C(C)(C)C23)C(O)C(O)C1O ChemAxon formula C42H70O12 ChemAxon inchi InChI=1S/C42H70O12/c1-20(2)11-10-12-21(3)23-13-16-41(8)29(23)24(44)17-27-40(7)15-14-28(45)39(5,6)36(40)25(18-42(27,41)9)52-38-35(33(49)31(47)26(19-43)53-38)54-37-34(50)32(48)30(46)22(4)51-37/h11-12,22-38,43-50H,10,13-19H2,1-9H3/b21-12+ ChemAxon inchikey QOMBXPYXWGTFNR-CIAFOILYSA-N ChemAxon polar_surface_area 198.76 ChemAxon refractivity 201.28 ChemAxon polarizability 85.86 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 12 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 782263 Specdb::CMs 782264 Specdb::CMs 782265 Specdb::CMs 782266 Specdb::CMs 782267 Specdb::CMs 782268 Specdb::CMs 782269 Specdb::CMs 782270 Specdb::CMs 782271 Specdb::CMs 782272 Specdb::CMs 782273 Specdb::CMs 782274 Specdb::CMs 782275 Specdb::CMs 782276 Specdb::CMs 782277 Specdb::CMs 782278 Specdb::MsMs 72774 Specdb::MsMs 72775 Specdb::MsMs 72776 Specdb::MsMs 131766 Specdb::MsMs 131767 Specdb::MsMs 131768 Specdb::MsMs 2373819 Specdb::MsMs 2373820 Specdb::MsMs 2373821 Specdb::MsMs 2564916 Specdb::MsMs 2564917 Specdb::MsMs 2564918 HMDB0031831 Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442