1.0 2010-04-08 22:13:58 UTC 2025-11-19 02:15:09 UTC FDB018833 beta-Sitosterol behenate Constituent of wild Himalayan cherry (Prunus cerasoides). beta-Sitosterol behenate is found in fruits. b-Sitosterol behenate C51H92O2 737.275 736.709732188 14-(5-ethyl-6-methylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl docosanoate 14-(5-ethyl-6-methylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl docosanoate 22554-56-9 CCCCCCCCCCCCCCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCC(CC)C(C)C InChI=1S/C51H92O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-49(52)53-44-35-37-50(6)43(39-44)31-32-45-47-34-33-46(51(47,7)38-36-48(45)50)41(5)29-30-42(9-2)40(3)4/h31,40-42,44-48H,8-30,32-39H2,1-7H3 KESLVCKDQOQELG-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 C24-propyl sterols and derivatives Carbonyl compounds Carboxylic acid esters Delta-5-steroids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Steroid esters Aliphatic homopolycyclic compound C24-propyl-sterol-skeleton Carbonyl group Carboxylic acid derivative Carboxylic acid ester Delta-5-steroid Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Steroid Steroid ester Triterpenoid logp 11.14 ALOGPS logs -7.99 ALOGPS solubility 7.46e-06 g/l ALOGPS logp 17.43 ChemAxon pka_strongest_basic -7 ChemAxon iupac 14-(5-ethyl-6-methylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl docosanoate ChemAxon average_mass 737.275 ChemAxon mono_mass 736.709732188 ChemAxon smiles CCCCCCCCCCCCCCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCC(CC)C(C)C ChemAxon formula C51H92O2 ChemAxon inchi InChI=1S/C51H92O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-49(52)53-44-35-37-50(6)43(39-44)31-32-45-47-34-33-46(51(47,7)38-36-48(45)50)41(5)29-30-42(9-2)40(3)4/h31,40-42,44-48H,8-30,32-39H2,1-7H3 ChemAxon inchikey KESLVCKDQOQELG-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 230.96 ChemAxon polarizability 100.03 ChemAxon rotatable_bond_count 28 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 8756 Specdb::MsMs 8757 Specdb::MsMs 8758 Specdb::MsMs 15428 Specdb::MsMs 15429 Specdb::MsMs 15430 Specdb::MsMs 2788435 Specdb::MsMs 2788436 Specdb::MsMs 2788437 Specdb::MsMs 2920016 Specdb::MsMs 2920017 Specdb::MsMs 2920018 HMDB39288 #<Reference:0x000055ce300cc6d8> Fruits Unknown generic