1.0 2010-04-08 22:10:23 UTC 2019-11-26 03:07:41 UTC FDB012829 6-Deoxohomodolichosterone Constituent of Phaseolus vulgaris (kidney bean) seed. 6-Deoxohomodolichosterone is found in pulses, yellow wax bean, and green bean. 6-Deoxohomodolichosterone Methyl 3-amino-2,3,6-trideoxyhexopyranoside C29H50O4 462.7049 462.370910088 14-[(5E)-3,4-dihydroxy-5-(propan-2-yl)hept-5-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-4,5-diol 14-[(5E)-3,4-dihydroxy-5-isopropylhept-5-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-4,5-diol 110345-06-7 C\C=C(/C(C)C)C(O)C(O)C(C)C1CCC2C3CCC4CC(O)C(O)CC4(C)C3CCC12C InChI=1S/C29H50O4/c1-7-19(16(2)3)27(33)26(32)17(4)21-10-11-22-20-9-8-18-14-24(30)25(31)15-29(18,6)23(20)12-13-28(21,22)5/h7,16-18,20-27,30-33H,8-15H2,1-6H3/b19-7+ GQSRIBUSVVSLSQ-FBCYGCLPSA-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-hydroxysteroids C24-propyl sterols and derivatives Cyclic alcohols and derivatives Hydrocarbon derivatives Secondary alcohols Tetrahydroxy bile acids, alcohols and derivatives Triterpenoids 2-hydroxysteroid 22-hydroxysteroid 23-hydroxysteroid 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Bile acid, alcohol, or derivatives C24-propyl-sterol-skeleton Cyclic alcohol Hydrocarbon derivative Hydroxy bile acid, alcohol, or derivatives Hydroxysteroid Organic oxygen compound Organooxygen compound Secondary alcohol Stigmastane-skeleton Tetrahydroxy bile acid, alcohol, or derivatives Triterpenoid logp 4.28 ALOGPS logs -4.50 ALOGPS solubility 1.48e-02 g/l ALOGPS melting_point Mp 225-227° logp 4.54 ChemAxon pka_strongest_acidic 13.3 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 14-[(5E)-3,4-dihydroxy-5-(propan-2-yl)hept-5-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-4,5-diol ChemAxon average_mass 462.7049 ChemAxon mono_mass 462.370910088 ChemAxon smiles C\C=C(/C(C)C)C(O)C(O)C(C)C1CCC2C3CCC4CC(O)C(O)CC4(C)C3CCC12C ChemAxon formula C29H50O4 ChemAxon inchi InChI=1S/C29H50O4/c1-7-19(16(2)3)27(33)26(32)17(4)21-10-11-22-20-9-8-18-14-24(30)25(31)15-29(18,6)23(20)12-13-28(21,22)5/h7,16-18,20-27,30-33H,8-15H2,1-6H3/b19-7+ ChemAxon inchikey GQSRIBUSVVSLSQ-FBCYGCLPSA-N ChemAxon polar_surface_area 80.92 ChemAxon refractivity 133.93 ChemAxon polarizability 55.53 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 4 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 48123 Specdb::MsMs 48124 Specdb::MsMs 48125 Specdb::MsMs 174453 Specdb::MsMs 174454 Specdb::MsMs 174455 Specdb::MsMs 2428567 Specdb::MsMs 2428568 Specdb::MsMs 2428569 Specdb::MsMs 2506721 Specdb::MsMs 2506722 Specdb::MsMs 2506723 Specdb::CMs 22380 Specdb::CMs 43872 Specdb::CMs 172250 HMDB34430 #<Reference:0x000055ce31f932b0> Green bean Type 1 specific Phaseolus vulgaris 3885 Pulses Unknown generic Yellow wax bean Type 1 specific Phaseolus vulgaris 3885