1.0 2010-04-08 22:11:08 UTC 2025-11-19 00:44:26 UTC FDB014195 (5alpha,24(28)Z)-Stigmast-24(28)-en-3-one Constituent of Setaria italica (foxtail millet). (5alpha,24(28)Z)-Stigmast-24(28)-en-3-one is found in cereals and cereal products. C29H48O 412.6908 412.370516158 2,15-dimethyl-14-[(5Z)-5-(propan-2-yl)hept-5-en-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-one 14-[(5Z)-5-isopropylhept-5-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-one 126576-88-3 C\C=C(\CCC(C)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C)C(C)C InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,19-20,22,24-27H,8-18H2,1-6H3/b21-7- ARTLJRSXUMKHFS-YXSASFKJSA-N belongs to the class of organic compounds known as stigmastanes and derivatives. These are sterol lipids with a structure based on the stigmastane skeleton, which consists of a cholestane moiety bearing an ethyl group at the carbon atom C24. Stigmastanes and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Stigmastanes and derivatives Aliphatic homopolycyclic compounds 3-oxosteroids Cyclic ketones Hydrocarbon derivatives Organic oxides Triterpenoids 3-oxosteroid Aliphatic homopolycyclic compound Carbonyl group Cyclic ketone Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Oxosteroid Stigmastane-skeleton Triterpenoid logp 7.02 ALOGPS logs -7.34 ALOGPS solubility 1.89e-05 g/l ALOGPS logp 8.05 ChemAxon pka_strongest_basic -7.4 ChemAxon iupac 2,15-dimethyl-14-[(5Z)-5-(propan-2-yl)hept-5-en-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-one ChemAxon average_mass 412.6908 ChemAxon mono_mass 412.370516158 ChemAxon smiles C\C=C(\CCC(C)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C)C(C)C ChemAxon formula C29H48O ChemAxon inchi InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,19-20,22,24-27H,8-18H2,1-6H3/b21-7- ChemAxon inchikey ARTLJRSXUMKHFS-YXSASFKJSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 128.74 ChemAxon polarizability 52.87 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12045 Specdb::CMs 173072 Specdb::MsMs 64983 Specdb::MsMs 64984 Specdb::MsMs 64985 Specdb::MsMs 122283 Specdb::MsMs 122284 Specdb::MsMs 122285 Specdb::MsMs 2846954 Specdb::MsMs 2846955 Specdb::MsMs 2846956 Specdb::MsMs 2862837 Specdb::MsMs 2862838 Specdb::MsMs 2862839 HMDB0035505 Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic