1.0 2010-04-08 22:10:00 UTC 2019-11-26 03:06:15 UTC FDB012138 beta-Sitostenone Constituent of the wood of Quassia amara (Surinam quassia). beta-Sitostenone is found in many foods, some of which are corn, date, soy bean, and cardamom. &laquo;DELTA&raquo;4-Sitosterol-3-one 4-Stigmasten-3-one b-Sitostenone beta-Sitostenone Laquo deltaraquo 4-sitosterol-3-one Sitost-4-en-3-one Sitostenone C29H48O 412.6908 412.370516158 (2R,15R)-14-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-5-one (2R,15R)-14-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-5-one 1058-61-3 CC[C@H](CC[C@@H](C)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)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/h18-21,24-27H,7-17H2,1-6H3/t20-,21-,24?,25?,26?,27?,28+,29-/m1/s1 RUVUHIUYGJBLGI-AXAJWWPKSA-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 Cyclohexenones Delta-4-steroids Hydrocarbon derivatives Organic oxides Triterpenoids 3-oxo-delta-4-steroid 3-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 6.95 ALOGPS logs -7.40 ALOGPS solubility 1.63e-05 g/l ALOGPS melting_point Mp 95-96.5° logp 8.41 ChemAxon pka_strongest_acidic 19.09 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac (2R,15R)-14-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-5-one ChemAxon average_mass 412.6908 ChemAxon mono_mass 412.370516158 ChemAxon smiles CC[C@H](CC[C@@H](C)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)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/h18-21,24-27H,7-17H2,1-6H3/t20-,21-,24?,25?,26?,27?,28+,29-/m1/s1 ChemAxon inchikey RUVUHIUYGJBLGI-AXAJWWPKSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 128.71 ChemAxon polarizability 52.87 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16912 Specdb::CMs 155399 Specdb::MsMs 57741 Specdb::MsMs 57742 Specdb::MsMs 57743 Specdb::MsMs 113508 Specdb::MsMs 113509 Specdb::MsMs 113510 Specdb::MsMs 2717361 Specdb::MsMs 2717362 Specdb::MsMs 2717363 Specdb::MsMs 2961558 Specdb::MsMs 2961559 Specdb::MsMs 2961560 HMDB33934 #<Reference:0x000055ce316864d8> Cardamom Type 1 specific Elettaria cardamomum 105181 Corn Type 1 specific Zea mays 4577 Date Type 1 specific Phoenix dactylifera 42345 Soy bean Type 1 specific Glycine max 3847 Anti-prostatitic 553