1.0 2010-04-08 22:11:08 UTC 2025-11-19 00:44:28 UTC FDB014203 Schleicherastatin 6 Constituent of the famine food Schleichera oleosa. Schleicherastatin 6 is found in fruits. 3,22-Dihydroxy-24-methylcholest-5-en-7-one 3,22-Dihydroxyergost-5-en-7-one Schleicherastatin 6 C28H46O3 430.663 430.344695338 5-hydroxy-14-(3-hydroxy-5,6-dimethylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-9-one 5-hydroxy-14-(3-hydroxy-5,6-dimethylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-9-one 256445-61-1 CC(C)C(C)CC(O)C(C)C1CCC2C3C(CCC12C)C1(C)CCC(O)CC1=CC3=O InChI=1S/C28H46O3/c1-16(2)17(3)13-24(30)18(4)21-7-8-22-26-23(10-12-28(21,22)6)27(5)11-9-20(29)14-19(27)15-25(26)31/h15-18,20-24,26,29-30H,7-14H2,1-6H3 PKESXWKAOMUZDM-UHFFFAOYSA-N belongs to the class of organic compounds known as dihydroxy bile acids, alcohols and derivatives. Dihydroxy bile acids, alcohols and derivatives are compounds containing or derived from a bile acid or alcohol, and which bears exactly two carboxylic acid groups. Dihydroxy bile acids, alcohols and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives Aliphatic homopolycyclic compounds 3-hydroxy delta-5-steroids 7-oxosteroids Cyclic alcohols and derivatives Cyclohexenones Delta-5-steroids Ergosterols and derivatives Hydrocarbon derivatives Organic oxides Secondary alcohols 22-hydroxysteroid 3-hydroxy-delta-5-steroid 3-hydroxysteroid 7-oxosteroid Alcohol Aliphatic homopolycyclic compound Carbonyl group Cyclic alcohol Cyclohexenone Delta-5-steroid Dihydroxy bile acid, alcohol, or derivatives Ergostane-skeleton Ergosterol-skeleton Hydrocarbon derivative Hydroxysteroid Ketone Organic oxide Organic oxygen compound Organooxygen compound Oxosteroid Secondary alcohol logp 4.51 ALOGPS logs -4.94 ALOGPS solubility 4.99e-03 g/l ALOGPS melting_point Mp 209-212° logp 5.53 ChemAxon pka_strongest_acidic 17.39 ChemAxon pka_strongest_basic -0.6 ChemAxon iupac 5-hydroxy-14-(3-hydroxy-5,6-dimethylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-9-one ChemAxon average_mass 430.663 ChemAxon mono_mass 430.344695338 ChemAxon smiles CC(C)C(C)CC(O)C(C)C1CCC2C3C(CCC12C)C1(C)CCC(O)CC1=CC3=O ChemAxon formula C28H46O3 ChemAxon inchi InChI=1S/C28H46O3/c1-16(2)17(3)13-24(30)18(4)21-7-8-22-26-23(10-12-28(21,22)6)27(5)11-9-20(29)14-19(27)15-25(26)31/h15-18,20-24,26,29-30H,7-14H2,1-6H3 ChemAxon inchikey PKESXWKAOMUZDM-UHFFFAOYSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 127.4 ChemAxon polarizability 52.63 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 10319 Specdb::MsMs 10320 Specdb::MsMs 10321 Specdb::MsMs 16991 Specdb::MsMs 16992 Specdb::MsMs 16993 Specdb::MsMs 2760943 Specdb::MsMs 2760944 Specdb::MsMs 2760945 Specdb::MsMs 2944743 Specdb::MsMs 2944744 Specdb::MsMs 2944745 Specdb::CMs 11398 Specdb::CMs 44424 Specdb::CMs 174556 HMDB0035513 Fruits Unknown generic