1.0 2010-04-08 22:13:28 UTC 2019-11-26 03:15:37 UTC FDB018052 (22E,24R)-Stigmasta-4,22-diene-3,6-dione Isolated from Glycine max (soybean) and Pistia stratiotes (date). (22E,24R)-Stigmasta-4,22-diene-3,6-dione is found in soy bean, pulses, and fruits. C29H44O2 424.6585 424.334130652 14-[(3E)-5-ethyl-6-methylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-ene-5,8-dione 14-[(3E)-5-ethyl-6-methylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-ene-5,8-dione 50868-51-4 CCC(\C=C\C(C)C1CCC2C3CC(=O)C4=CC(=O)CCC4(C)C3CCC12C)C(C)C InChI=1S/C29H44O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h8-9,16,18-20,22-25H,7,10-15,17H2,1-6H3/b9-8+ XWHBTBBUPBKDBB-CMDGGOBGSA-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-oxo delta-4-steroids 6-oxosteroids Cyclohexenones Delta-4-steroids Hydrocarbon derivatives Organic oxides Triterpenoids 3-oxo-delta-4-steroid 3-oxosteroid 6-oxosteroid Aliphatic homopolycyclic compound Carbonyl group Cyclic ketone Cyclohexenone Delta-4-steroid Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Oxosteroid Stigmastane-skeleton Triterpenoid logp 5.71 ALOGPS logs -6.86 ALOGPS solubility 5.88e-05 g/l ALOGPS melting_point Mp 154-156° logp 7.38 ChemAxon pka_strongest_acidic 19.65 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac 14-[(3E)-5-ethyl-6-methylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-ene-5,8-dione ChemAxon average_mass 424.6585 ChemAxon mono_mass 424.334130652 ChemAxon smiles CCC(\C=C\C(C)C1CCC2C3CC(=O)C4=CC(=O)CCC4(C)C3CCC12C)C(C)C ChemAxon formula C29H44O2 ChemAxon inchi InChI=1S/C29H44O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h8-9,16,18-20,22-25H,7,10-15,17H2,1-6H3/b9-8+ ChemAxon inchikey XWHBTBBUPBKDBB-CMDGGOBGSA-N ChemAxon polar_surface_area 34.14 ChemAxon refractivity 130.52 ChemAxon polarizability 52.25 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20224 Specdb::CMs 166362 Specdb::MsMs 58479 Specdb::MsMs 58480 Specdb::MsMs 58481 Specdb::MsMs 114420 Specdb::MsMs 114421 Specdb::MsMs 114422 Specdb::MsMs 2688116 Specdb::MsMs 2688117 Specdb::MsMs 2688118 Specdb::MsMs 2994272 Specdb::MsMs 2994273 Specdb::MsMs 2994274 HMDB38656 #<Reference:0x000055ce3313dc18> Fruits Unknown generic Pulses Unknown generic Soy bean Type 1 specific Glycine max 3847