1.0 2010-04-08 22:11:59 UTC 2019-11-26 03:12:02 UTC FDB015682 alpha-Amyrin cerotate Constituent of Rosmarinus officinalis (rosemary). alpha-Amyrin cerotate is found in herbs and spices. C56H100O2 805.392 804.772332444 4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl hexacosanoate 4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl hexacosanoate 307319-21-7 CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC1CCC2(C)C(CCC3(C)C2CC=C2C4C(C)C(C)CCC4(C)CCC32C)C1(C)C InChI=1S/C56H100O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-50(57)58-49-38-40-54(7)47(52(49,4)5)37-41-56(9)48(54)35-34-46-51-45(3)44(2)36-39-53(51,6)42-43-55(46,56)8/h34,44-45,47-49,51H,10-33,35-43H2,1-9H3 FCEBVFZAUVYHIN-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 11.37 ALOGPS logs -7.90 ALOGPS solubility 1.02e-05 g/l ALOGPS logp 18.76 ChemAxon pka_strongest_basic -7 ChemAxon iupac 4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl hexacosanoate ChemAxon average_mass 805.392 ChemAxon mono_mass 804.772332444 ChemAxon smiles CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC1CCC2(C)C(CCC3(C)C2CC=C2C4C(C)C(C)CCC4(C)CCC32C)C1(C)C ChemAxon formula C56H100O2 ChemAxon inchi InChI=1S/C56H100O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-50(57)58-49-38-40-54(7)47(52(49,4)5)37-41-56(9)48(54)35-34-46-51-45(3)44(2)36-39-53(51,6)42-43-55(46,56)8/h34,44-45,47-49,51H,10-33,35-43H2,1-9H3 ChemAxon inchikey FCEBVFZAUVYHIN-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 251.58 ChemAxon polarizability 110.15 ChemAxon rotatable_bond_count 26 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 88113 Specdb::MsMs 88114 Specdb::MsMs 88115 Specdb::MsMs 150777 Specdb::MsMs 150778 Specdb::MsMs 150779 Specdb::MsMs 2450797 Specdb::MsMs 2450798 Specdb::MsMs 2450799 Specdb::MsMs 2488692 Specdb::MsMs 2488693 Specdb::MsMs 2488694 HMDB36744 #<Reference:0x00007f09000c0250> Herbs and Spices Unknown generic