1.0 2010-04-08 22:10:59 UTC 2025-11-19 00:39:14 UTC FDB013927 Avenestergenin B2 Aglycone from oat root. Avenestergenin B2 is found in cereals and cereal products. Avenestergenin B2 C37H52O6 592.8052 592.376389396 2-formyl-5,10-dihydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-14-oxo-docosahydropicen-3-yl benzoate 2-formyl-5,10-dihydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-14-oxo-tetradecahydro-1H-picen-3-yl benzoate 90578-32-8 CC1(C)C(O)CCC2(C)C1CCC1(C)C2CC(=O)C2C3CC(C)(C=O)C(CC3(C)C(O)CC12C)OC(=O)C1=CC=CC=C1 InChI=1S/C37H52O6/c1-32(2)25-13-16-36(6)26(34(25,4)15-14-27(32)40)17-24(39)30-23-18-33(3,21-38)29(43-31(42)22-11-9-8-10-12-22)20-35(23,5)28(41)19-37(30,36)7/h8-12,21,23,25-30,40-41H,13-20H2,1-7H3 GQOZPIAGDDOAGV-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 Aromatic homopolycyclic compounds Aldehydes Benzoic acid esters Benzoyl derivatives Carboxylic acid esters Cyclic alcohols and derivatives Hydrocarbon derivatives Ketones Monocarboxylic acids and derivatives Organic oxides Secondary alcohols Alcohol Aldehyde Aromatic homopolycyclic compound Benzenoid Benzoate ester Benzoic acid or derivatives Benzoyl Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Hydrocarbon derivative Ketone Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Triterpenoid logp 4.72 ALOGPS logs -6.03 ALOGPS solubility 5.58e-04 g/l ALOGPS melting_point Mp 177-178° logp 5.95 ChemAxon pka_strongest_acidic 14.68 ChemAxon pka_strongest_basic -0.84 ChemAxon iupac 2-formyl-5,10-dihydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-14-oxo-docosahydropicen-3-yl benzoate ChemAxon average_mass 592.8052 ChemAxon mono_mass 592.376389396 ChemAxon smiles CC1(C)C(O)CCC2(C)C1CCC1(C)C2CC(=O)C2C3CC(C)(C=O)C(CC3(C)C(O)CC12C)OC(=O)C1=CC=CC=C1 ChemAxon formula C37H52O6 ChemAxon inchi InChI=1S/C37H52O6/c1-32(2)25-13-16-36(6)26(34(25,4)15-14-27(32)40)17-24(39)30-23-18-33(3,21-38)29(43-31(42)22-11-9-8-10-12-22)20-35(23,5)28(41)19-37(30,36)7/h8-12,21,23,25-30,40-41H,13-20H2,1-7H3 ChemAxon inchikey GQOZPIAGDDOAGV-UHFFFAOYSA-N ChemAxon polar_surface_area 100.9 ChemAxon refractivity 165.37 ChemAxon polarizability 68.52 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 109599 Specdb::MsMs 109600 Specdb::MsMs 109601 Specdb::MsMs 177066 Specdb::MsMs 177067 Specdb::MsMs 177068 Specdb::MsMs 2353603 Specdb::MsMs 2353604 Specdb::MsMs 2353605 Specdb::MsMs 2584625 Specdb::MsMs 2584626 Specdb::MsMs 2584627 Specdb::CMs 44291 Specdb::CMs 61848 Specdb::CMs 282918 Specdb::CMs 424690 Specdb::CMs 424691 Specdb::CMs 424692 Specdb::CMs 424693 Specdb::CMs 424694 Specdb::CMs 424695 Specdb::CMs 424696 Specdb::CMs 424697 Specdb::CMs 424698 Specdb::CMs 424699 Specdb::CMs 424700 Specdb::CMs 424701 Specdb::CMs 424702 Specdb::CMs 424703 Specdb::CMs 424704 Specdb::CMs 424705 Specdb::CMs 424706 HMDB35266 #<Reference:0x000055ce31ca98d8> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic