1.0 2010-04-08 22:15:45 UTC 2019-11-26 03:20:29 UTC FDB021513 Quasiprotopanaxatriol Isolated from ginseng. Quasiprotopanaxatriol is found in tea. C30H50O3 458.7162 458.375995466 2,6,6,10,11-pentamethyl-14-[(2E)-6-methylhepta-2,5-dien-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-5,8,16-triol 2,6,6,10,11-pentamethyl-14-[(2E)-6-methylhepta-2,5-dien-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-5,8,16-triol CC(C)=CC\C=C(/C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC21C InChI=1S/C30H50O3/c1-18(2)10-9-11-19(3)20-12-15-29(7)25(20)21(31)16-23-28(6)14-13-24(33)27(4,5)26(28)22(32)17-30(23,29)8/h10-11,20-26,31-33H,9,12-17H2,1-8H3/b19-11+ JKPOYAJYRYOGBN-YBFXNURJSA-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 homopolycyclic compounds 12-hydroxysteroids 3-hydroxysteroids 6-hydroxysteroids Cyclic alcohols and derivatives Hydrocarbon derivatives Polyols Secondary alcohols 12-hydroxysteroid 3-hydroxysteroid 6-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Polyol Secondary alcohol Steroid Triterpenoid logp 5.28 ALOGPS logs -4.83 ALOGPS solubility 6.76e-03 g/l ALOGPS melting_point Mp 131-132° logp 5.13 ChemAxon pka_strongest_acidic 14.49 ChemAxon pka_strongest_basic -0.45 ChemAxon iupac 2,6,6,10,11-pentamethyl-14-[(2E)-6-methylhepta-2,5-dien-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-5,8,16-triol ChemAxon average_mass 458.7162 ChemAxon mono_mass 458.375995466 ChemAxon smiles CC(C)=CC\C=C(/C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC21C ChemAxon formula C30H50O3 ChemAxon inchi InChI=1S/C30H50O3/c1-18(2)10-9-11-19(3)20-12-15-29(7)25(20)21(31)16-23-28(6)14-13-24(33)27(4,5)26(28)22(32)17-30(23,29)8/h10-11,20-26,31-33H,9,12-17H2,1-8H3/b19-11+ ChemAxon inchikey JKPOYAJYRYOGBN-YBFXNURJSA-N ChemAxon polar_surface_area 60.69 ChemAxon refractivity 138 ChemAxon polarizability 56.47 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18209 Specdb::CMs 47372 Specdb::CMs 154520 Specdb::MsMs 306355 Specdb::MsMs 306356 Specdb::MsMs 306357 Specdb::MsMs 349981 Specdb::MsMs 349982 Specdb::MsMs 349983 Specdb::MsMs 2270698 Specdb::MsMs 2270699 Specdb::MsMs 2270700 Specdb::MsMs 3068060 Specdb::MsMs 3068061 Specdb::MsMs 3068062 HMDB41533 #<Reference:0x000055ce3202e9e0> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442