1.0 2010-04-08 22:07:25 UTC 2019-11-26 03:01:25 UTC FDB007028 beta-Amyrin palmitate Beta-amyrin palmitate, also known as B-amyrin palmitic acid, is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. Beta-amyrin palmitate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Beta-amyrin palmitate can be found in black elderberry, which makes beta-amyrin palmitate a potential biomarker for the consumption of this food product. C46H80O2 665.1262 664.615831804 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-yl hexadecanoate 4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl hexadecanoate CCCCCCCCCCCCCCCC(=O)OC1CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(C)CCC32C)C1(C)C InChI=1S/C46H80O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(47)48-39-27-28-44(7)37(42(39,4)5)26-29-46(9)38(44)25-24-35-36-34-41(2,3)30-31-43(36,6)32-33-45(35,46)8/h24,36-39H,10-23,25-34H2,1-9H3 VFSRKCNYYCXRGI-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 Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic homopolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Triterpenoid logp 10.93 ALOGPS logs -7.73 ALOGPS solubility 1.23e-05 g/l ALOGPS logp 14.32 ChemAxon pka_strongest_basic -7 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-yl hexadecanoate ChemAxon average_mass 665.1262 ChemAxon mono_mass 664.615831804 ChemAxon smiles CCCCCCCCCCCCCCCC(=O)OC1CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(C)CCC32C)C1(C)C ChemAxon formula C46H80O2 ChemAxon inchi InChI=1S/C46H80O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(47)48-39-27-28-44(7)37(42(39,4)5)26-29-46(9)38(44)25-24-35-36-34-41(2,3)30-31-43(36,6)32-33-45(35,46)8/h24,36-39H,10-23,25-34H2,1-9H3 ChemAxon inchikey VFSRKCNYYCXRGI-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 205.5 ChemAxon polarizability 89.01 ChemAxon rotatable_bond_count 16 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 97212 Specdb::MsMs 97213 Specdb::MsMs 97214 Specdb::MsMs 161889 Specdb::MsMs 161890 Specdb::MsMs 161891 Specdb::MsMs 3419051 Specdb::MsMs 3419052 Specdb::MsMs 3419053 Specdb::MsMs 3419054 Specdb::MsMs 3419055 Specdb::MsMs 3419056 Black elderberry Type 1 specific Sambucus nigra 4202 anti depressant 223 Any substance introduced into a living organism with therapeutic or diagnostic purpose. anti hepatotoxic 328 Any compound that is able to prevent damage to the liver. sedative 1311 A central nervous system depressant used to induce drowsiness or sleep or to reduce psychological excitement or anxiety.