1.0 2010-04-08 22:11:59 UTC 2019-11-26 03:12:01 UTC FDB015681 alpha-Amyrin tetratriacontanoate Constituent of the root bark of Scolymus hispanicus (Spanish salsify). alpha-Amyrin tetratriacontanoate is found in green vegetables. C64H116O2 917.6046 916.897532956 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 tetratriacontanoate 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 tetratriacontanoate 124693-68-1 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC1CCC2(C)C(CCC3(C)C2CC=C2C4C(C)C(C)CCC4(C)CCC32C)C1(C)C InChI=1S/C64H116O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-58(65)66-57-46-48-62(7)55(60(57,4)5)45-49-64(9)56(62)43-42-54-59-53(3)52(2)44-47-61(59,6)50-51-63(54,64)8/h42,52-53,55-57,59H,10-41,43-51H2,1-9H3 JQGZKTFAYYVRDZ-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 11.43 ALOGPS logs -7.82 ALOGPS solubility 1.38e-05 g/l ALOGPS logp 22.31 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 tetratriacontanoate ChemAxon average_mass 917.6046 ChemAxon mono_mass 916.897532956 ChemAxon smiles CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC1CCC2(C)C(CCC3(C)C2CC=C2C4C(C)C(C)CCC4(C)CCC32C)C1(C)C ChemAxon formula C64H116O2 ChemAxon inchi InChI=1S/C64H116O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-58(65)66-57-46-48-62(7)55(60(57,4)5)45-49-64(9)56(62)43-42-54-59-53(3)52(2)44-47-61(59,6)50-51-63(54,64)8/h42,52-53,55-57,59H,10-41,43-51H2,1-9H3 ChemAxon inchikey JQGZKTFAYYVRDZ-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 288.39 ChemAxon polarizability 126.81 ChemAxon rotatable_bond_count 34 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 96129 Specdb::MsMs 96130 Specdb::MsMs 96131 Specdb::MsMs 160548 Specdb::MsMs 160549 Specdb::MsMs 160550 Specdb::MsMs 2471067 Specdb::MsMs 2471068 Specdb::MsMs 2471069 Specdb::MsMs 2495393 Specdb::MsMs 2495394 Specdb::MsMs 2495395 HMDB36743 #<Reference:0x000055ce316b3d20> Green vegetables Unknown generic