1.0 2010-04-08 22:10:34 UTC 2019-11-26 03:08:04 UTC FDB013172 Soyasapogenol B Constituent of soya bean saponin, Medicago, Astragalus, Trifolium subspecies Soyasapogenol B is found in many foods, some of which are peanut, soy bean, tea, and pulses. (3beta,4beta,22beta)-Olean-12-ene-3,22,23-triol Olean-12-ene-3,22,23-triol, (3beta,4beta,22beta)- Soyasapogenol B Soyasapogenol M2 C30H50O3 458.7162 458.375995466 4-(hydroxymethyl)-4,6a,6b,8a,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-3,9-diol 4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol 595-15-3 CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC34C)C2C1 InChI=1S/C30H50O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h8,20-24,31-33H,9-18H2,1-7H3 YOQAQNKGFOLRGT-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 Primary alcohols Secondary alcohols Steroids and steroid derivatives Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Primary alcohol Secondary alcohol Steroid Triterpenoid a soyasapogenol logp 5.82 ALOGPS logs -5.05 ALOGPS solubility 4.05e-03 g/l ALOGPS melting_point Mp 258-259° logp 4.89 ChemAxon pka_strongest_acidic 14.49 ChemAxon pka_strongest_basic -0.4 ChemAxon iupac 4-(hydroxymethyl)-4,6a,6b,8a,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-3,9-diol ChemAxon average_mass 458.7162 ChemAxon mono_mass 458.375995466 ChemAxon smiles CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC34C)C2C1 ChemAxon formula C30H50O3 ChemAxon inchi InChI=1S/C30H50O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h8,20-24,31-33H,9-18H2,1-7H3 ChemAxon inchikey YOQAQNKGFOLRGT-UHFFFAOYSA-N ChemAxon polar_surface_area 60.69 ChemAxon refractivity 135.2 ChemAxon polarizability 55.98 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 46014 Specdb::MsMs 46015 Specdb::MsMs 46016 Specdb::MsMs 167289 Specdb::MsMs 167290 Specdb::MsMs 167291 Specdb::CMs 14731 Specdb::CMs 43970 HMDB34648 #<Reference:0x000055ce32145b80> Alfalfa Type 1 specific Medicago sativa 3879 Black tea Type 1 Common bean Type 1 specific Phaseolus vulgaris 3885 Green bean Type 1 specific Phaseolus vulgaris 3885 Green tea Type 1 Herbal tea Type 1 Peanut Type 1 specific Arachis hypogaea 3818 Pulses Unknown generic Red tea Type 1 Soy bean Type 1 specific Glycine max 3847 Tea Type 1 specific Camellia sinensis 4442 Yellow wax bean Type 1 specific Phaseolus vulgaris 3885