1.0 2010-04-08 22:07:22 UTC 2025-11-18 23:03:03 UTC FDB006919 beta-Amyrenone Beta-amyrenone is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. Beta-amyrenone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Beta-amyrenone can be found in rosemary and shea tree, which makes beta-amyrenone a potential biomarker for the consumption of these food products. C30H48O 424.7015 424.370516158 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-one 4,4,6a,6b,8a,11,11,14b-octamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-one CC1(C)CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(=O)C(C)(C)C5CCC34C)C2C1 InChI=1S/C30H48O/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/h9,21-23H,10-19H2,1-8H3 LIIFBMGUDSHTOU-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 ketones Hydrocarbon derivatives Organic oxides Aliphatic homopolycyclic compound Carbonyl group Cyclic ketone Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Triterpenoid logp 7.66 ALOGPS logs -6.84 ALOGPS solubility 6.15e-05 g/l ALOGPS logp 7.97 ChemAxon pka_strongest_acidic 19.96 ChemAxon pka_strongest_basic -7.5 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-one ChemAxon average_mass 424.7015 ChemAxon mono_mass 424.370516158 ChemAxon smiles CC1(C)CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(=O)C(C)(C)C5CCC34C)C2C1 ChemAxon formula C30H48O ChemAxon inchi InChI=1S/C30H48O/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/h9,21-23H,10-19H2,1-8H3 ChemAxon inchikey LIIFBMGUDSHTOU-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 131.08 ChemAxon polarizability 53.52 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 100410 Specdb::MsMs 100411 Specdb::MsMs 100412 Specdb::MsMs 165732 Specdb::MsMs 165733 Specdb::MsMs 165734 Specdb::MsMs 3603443 Specdb::MsMs 3603444 Specdb::MsMs 3603445 Specdb::MsMs 3603446 Specdb::MsMs 3603447 Specdb::MsMs 3603448 Rosemary Type 1 specific Rosmarinus officinalis 39367 3.0 3.0 3.0 mg/100 g Shea tree Type 1 specific Vitellaria paradoxa 292385