1.0 2010-04-08 22:14:08 UTC 2019-11-26 03:17:06 UTC FDB019105 (6beta,24R)-6-Hydroxystigmast-4-en-3-one Isolated from various plant subspecies including roots of French bean (Phaseolus vulgaris). (6beta,24R)-6-Hydroxystigmast-4-en-3-one is found in pulses, yellow wax bean, and green bean. Stigmast-4-en-6beta-ol-3-one C29H48O2 428.6902 428.36543078 14-(5-ethyl-6-methylheptan-2-yl)-8-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-5-one 14-(5-ethyl-6-methylheptan-2-yl)-8-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-5-one 36450-02-9 CCC(CCC(C)C1CCC2C3CC(O)C4=CC(=O)CCC4(C)C3CCC12C)C(C)C InChI=1S/C29H48O2/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/h16,18-20,22-25,27,31H,7-15,17H2,1-6H3 IWNCBADONFSAAW-UHFFFAOYSA-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-hydroxysteroids Cyclic alcohols and derivatives Cyclohexenones Delta-4-steroids Hydrocarbon derivatives Organic oxides Secondary alcohols Triterpenoids 3-oxo-delta-4-steroid 3-oxosteroid 6-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Carbonyl group Cyclic alcohol Cyclic ketone Cyclohexenone Delta-4-steroid Hydrocarbon derivative Hydroxysteroid Ketone Organic oxide Organic oxygen compound Organooxygen compound Oxosteroid Secondary alcohol Stigmastane-skeleton Triterpenoid logp 6.26 ALOGPS logs -6.91 ALOGPS solubility 5.33e-05 g/l ALOGPS melting_point Mp 213-215° logp 7.18 ChemAxon pka_strongest_acidic 14.55 ChemAxon pka_strongest_basic -3 ChemAxon iupac 14-(5-ethyl-6-methylheptan-2-yl)-8-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-5-one ChemAxon average_mass 428.6902 ChemAxon mono_mass 428.36543078 ChemAxon smiles CCC(CCC(C)C1CCC2C3CC(O)C4=CC(=O)CCC4(C)C3CCC12C)C(C)C ChemAxon formula C29H48O2 ChemAxon inchi InChI=1S/C29H48O2/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/h16,18-20,22-25,27,31H,7-15,17H2,1-6H3 ChemAxon inchikey IWNCBADONFSAAW-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 130.23 ChemAxon polarizability 53.77 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17617 Specdb::CMs 46432 Specdb::CMs 159423 Specdb::MsMs 8825 Specdb::MsMs 8826 Specdb::MsMs 8827 Specdb::MsMs 12554 Specdb::MsMs 12555 Specdb::MsMs 12556 Specdb::MsMs 15497 Specdb::MsMs 15498 Specdb::MsMs 15499 Specdb::MsMs 19226 Specdb::MsMs 19227 Specdb::MsMs 19228 Specdb::MsMs 2461789 Specdb::MsMs 2461790 Specdb::MsMs 2461791 Specdb::MsMs 2499863 Specdb::MsMs 2499864 Specdb::MsMs 2499865 HMDB39498 #<Reference:0x000055ce32705e30> Green bean Type 1 specific Phaseolus vulgaris 3885 Pulses Unknown generic Yellow wax bean Type 1 specific Phaseolus vulgaris 3885