1.0 2010-04-08 22:10:29 UTC 2019-11-26 03:07:53 UTC FDB013029 Camelliagenin A Sapogenin from the seeds of Camellia japonica. Camelliagenin A is found in tea and fats and oils. (3beta,16alpha,22alpha)-Olean-12-ene-3,16,22,28-tetrol Barrigenol A2 Camelliagenin A Camelliasapogenol I Dihydropriverogenin A Olean-12-ene-3,16,22,28-tetrol, (3beta,16alpha,22alpha)- Proschiwalligenin PA2 Theasapogenin I Theasapogenol D C30H50O4 474.7156 474.370910088 8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-3,8,9-triol 8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,8,9-triol 53227-91-1 CC1(C)CC(O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1 InChI=1S/C30H50O4/c1-25(2)14-19-18-8-9-21-27(5)12-11-22(32)26(3,4)20(27)10-13-28(21,6)29(18,7)16-24(34)30(19,17-31)23(33)15-25/h8,19-24,31-34H,9-17H2,1-7H3 CTNHZEZBBGIUJB-UHFFFAOYSA-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 Cyclic alcohols and derivatives Hydrocarbon derivatives Polyols Primary alcohols Secondary alcohols Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Polyol Primary alcohol Secondary alcohol Triterpenoid logp 4.71 ALOGPS logs -4.52 ALOGPS solubility 1.42e-02 g/l ALOGPS melting_point Mp 290-293° logp 3.66 ChemAxon pka_strongest_acidic 14.14 ChemAxon pka_strongest_basic -0.84 ChemAxon iupac 8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-3,8,9-triol ChemAxon average_mass 474.7156 ChemAxon mono_mass 474.370910088 ChemAxon smiles CC1(C)CC(O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1 ChemAxon formula C30H50O4 ChemAxon inchi InChI=1S/C30H50O4/c1-25(2)14-19-18-8-9-21-27(5)12-11-22(32)26(3,4)20(27)10-13-28(21,6)29(18,7)16-24(34)30(19,17-31)23(33)15-25/h8,19-24,31-34H,9-17H2,1-7H3 ChemAxon inchikey CTNHZEZBBGIUJB-UHFFFAOYSA-N ChemAxon polar_surface_area 80.92 ChemAxon refractivity 136.71 ChemAxon polarizability 56.69 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 4 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22091 Specdb::CMs 43912 Specdb::CMs 135333 Specdb::CMs 143067 Specdb::CMs 160965 Specdb::CMs 160967 Specdb::CMs 280311 Specdb::MsMs 10421 Specdb::MsMs 10422 Specdb::MsMs 10423 Specdb::MsMs 17093 Specdb::MsMs 17094 Specdb::MsMs 17095 Specdb::MsMs 3042829 Specdb::MsMs 3042830 Specdb::MsMs 3042831 Specdb::MsMs 3097372 Specdb::MsMs 3097373 Specdb::MsMs 3097374 HMDB34528 #<Reference:0x000055ce306165f8> Black tea Type 1 Fats and oils Unknown generic Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442