1.0 2010-04-08 22:10:29 UTC 2025-11-18 23:40:41 UTC FDB013019 Theasapogenol E Sapogenin from seeds of China tea (Thea sinensis) and Camellia sasanqua. Theasapogenol E is found in tea. 3b,16a,21b,22a,28-Pentahydroxy-12-oleanen-23-al Camelliagenin E Theasapogenol E C30H48O6 504.6985 504.345089268 3,8,9,10-tetrahydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carbaldehyde 3,8,9,10-tetrahydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carbaldehyde 15399-41-4 CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1O InChI=1S/C30H48O6/c1-25(2)13-18-17-7-8-20-26(3)11-10-21(33)27(4,15-31)19(26)9-12-28(20,5)29(17,6)14-22(34)30(18,16-32)24(36)23(25)35/h7,15,18-24,32-36H,8-14,16H2,1-6H3 PADNECYMNLPKRN-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 Aldehydes Cyclic alcohols and derivatives Hydrocarbon derivatives Organic oxides Polyols Primary alcohols Secondary alcohols Steroids and steroid derivatives Alcohol Aldehyde Aliphatic homopolycyclic compound Carbonyl group Cyclic alcohol Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Polyol Primary alcohol Secondary alcohol Steroid Triterpenoid logp 3.02 ALOGPS logs -3.87 ALOGPS solubility 6.85e-02 g/l ALOGPS melting_point Mp 270-273° logp 1.77 ChemAxon pka_strongest_acidic 13.29 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 3,8,9,10-tetrahydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carbaldehyde ChemAxon average_mass 504.6985 ChemAxon mono_mass 504.345089268 ChemAxon smiles CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1O ChemAxon formula C30H48O6 ChemAxon inchi InChI=1S/C30H48O6/c1-25(2)13-18-17-7-8-20-26(3)11-10-21(33)27(4,15-31)19(26)9-12-28(20,5)29(17,6)14-22(34)30(18,16-32)24(36)23(25)35/h7,15,18-24,32-36H,8-14,16H2,1-6H3 ChemAxon inchikey PADNECYMNLPKRN-UHFFFAOYSA-N ChemAxon polar_surface_area 118.22 ChemAxon refractivity 138.71 ChemAxon polarizability 57.77 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 6 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 84018 Specdb::MsMs 84019 Specdb::MsMs 84020 Specdb::MsMs 145767 Specdb::MsMs 145768 Specdb::MsMs 145769 Specdb::MsMs 2658832 Specdb::MsMs 2658833 Specdb::MsMs 2658834 Specdb::MsMs 3050795 Specdb::MsMs 3050796 Specdb::MsMs 3050797 Specdb::CMs 21978 Specdb::CMs 43907 Specdb::CMs 170405 Specdb::CMs 170407 Specdb::CMs 170409 Specdb::CMs 170411 Specdb::CMs 170413 Specdb::CMs 170416 Specdb::CMs 170418 Specdb::CMs 170420 Specdb::CMs 170422 Specdb::CMs 170425 Specdb::CMs 170427 Specdb::CMs 170429 Specdb::CMs 170431 Specdb::CMs 170433 Specdb::CMs 170436 Specdb::CMs 170438 Specdb::CMs 280678 HMDB0034518 Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442