1.02010-04-08 22:06:05 UTC2019-11-26 02:59:48 UTCFDB004093beta-Amyrin acetateBeta-amyrin acetate, also known as B-amyrin acetic acid, is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. Beta-amyrin acetate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Beta-amyrin acetate can be found in burdock and guava, which makes beta-amyrin acetate a potential biomarker for the consumption of these food products. C32H52O2468.7541468.396730908CC(=O)OC1CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(C)CCC32C)C1(C)CInChI=1S/C32H52O2/c1-21(33)34-26-13-14-30(7)24(28(26,4)5)12-15-32(9)25(30)11-10-22-23-20-27(2,3)16-17-29(23,6)18-19-31(22,32)8/h10,23-26H,11-20H2,1-9H3UMRPOGLIBDXFNK-UHFFFAOYSA-N belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.TriterpenoidsOrganic compoundsLipids and lipid-like moleculesPrenol lipidsTriterpenoidsAliphatic homopolycyclic compoundsCarbonyl compoundsCarboxylic acid estersHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxidesAliphatic homopolycyclic compoundCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterHydrocarbon derivativeMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundTriterpenoidaverage_mass468.7541mono_mass468.396730908smilesCC(=O)OC1CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(C)CCC32C)C1(C)CformulaC32H52O2inchiInChI=1S/C32H52O2/c1-21(33)34-26-13-14-30(7)24(28(26,4)5)12-15-32(9)25(30)11-10-22-23-20-27(2,3)16-17-29(23,6)18-19-31(22,32)8/h10,23-26H,11-20H2,1-9H3inchikeyUMRPOGLIBDXFNK-UHFFFAOYSA-NSpecdb::CMs105810Specdb::CMs117925Specdb::MsMs90945Specdb::MsMs90946Specdb::MsMs90947Specdb::MsMs154224Specdb::MsMs154225Specdb::MsMs154226Specdb::MsMs3419045Specdb::MsMs3419046Specdb::MsMs3419047Specdb::MsMs3419048Specdb::MsMs3419049Specdb::MsMs3419050BurdockType 1specificArctium lappa4217GuavaType 1specificPsidium guajava120290anti convulsant204Any substance introduced into a living organism with therapeutic or diagnostic purpose.anti inflammatory370A substance that reduces or suppresses inflammation.anti nociceptive484A class of drugs producing both physiological and psychological effects through a variety of mechanisms involving the central nervous system.antioxidant502A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. In European countries, E-numbers for permitted antioxidant food additives are from E 300 to E 324.