1.0 2010-04-08 22:06:12 UTC 2025-11-18 22:55:59 UTC FDB004346 beta-Amryin Beta-amryin, also known as B-amryin, is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. Beta-amryin is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Beta-amryin can be found in pigeon pea, which makes beta-amryin a potential biomarker for the consumption of this food product. C30H50O 426.7174 426.386166222 4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-ol β-amyrin CC1(C)CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1 InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-24,31H,10-19H2,1-8H3 JFSHUTJDVKUMTJ-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 Secondary alcohols Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Secondary alcohol Triterpenoid a triterpenoid logp 7.53 ALOGPS logs -6.78 ALOGPS solubility 7.15e-05 g/l ALOGPS logp 7.4 ChemAxon pka_strongest_acidic 19.49 ChemAxon pka_strongest_basic -0.84 ChemAxon iupac 4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-ol ChemAxon average_mass 426.7174 ChemAxon mono_mass 426.386166222 ChemAxon smiles CC1(C)CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1 ChemAxon formula C30H50O ChemAxon inchi InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-24,31H,10-19H2,1-8H3 ChemAxon inchikey JFSHUTJDVKUMTJ-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 131.91 ChemAxon polarizability 54.13 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 115642 Specdb::CMs 130082 Specdb::CMs 853299 Specdb::CMs 853300 Specdb::MsMs 55020 Specdb::MsMs 55021 Specdb::MsMs 55022 Specdb::MsMs 126492 Specdb::MsMs 126493 Specdb::MsMs 126494 Specdb::MsMs 3419039 Specdb::MsMs 3419040 Specdb::MsMs 3419041 Specdb::MsMs 3419042 Specdb::MsMs 3419043 Specdb::MsMs 3419044 Pigeon pea Type 1 specific Cajanus cajan 3821