1.0 2010-04-08 22:13:21 UTC 2019-11-26 03:15:21 UTC FDB017868 Polyporusterone A Constituent of Polyporus umbellatus (zhu ling). Polyporusterone A is found in mushrooms. Polyporusterone A C28H46O6 478.6612 478.329439204 14-(2,3-dihydroxy-5,6-dimethylheptan-2-yl)-4,5,11-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-8-one 14-(2,3-dihydroxy-5,6-dimethylheptan-2-yl)-4,5,11-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-8-one 141360-88-5 CC(C)C(C)CC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C InChI=1S/C28H46O6/c1-15(2)16(3)11-24(32)27(6,33)23-8-10-28(34)18-12-20(29)19-13-21(30)22(31)14-25(19,4)17(18)7-9-26(23,28)5/h12,15-17,19,21-24,30-34H,7-11,13-14H2,1-6H3 KQBCIGPPRFLKLS-UHFFFAOYSA-N belongs to the class of organic compounds known as pentahydroxy bile acids, alcohols and derivatives. These are bile acids, alcohols or derivatives bearing five hydroxyl groups. Pentahydroxy bile acids, alcohols and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives Aliphatic homopolycyclic compounds 14-hydroxysteroids 3-hydroxy delta-7-steroids 6-oxosteroids Cyclic alcohols and derivatives Cyclohexenones Delta-7-steroids Ecdysteroids Ergosterols and derivatives Hydrocarbon derivatives Organic oxides Polyols Secondary alcohols Tertiary alcohols 14-hydroxysteroid 2-hydroxysteroid 20-hydroxysteroid 22-hydroxysteroid 3-hydroxy-delta-7-steroid 3-hydroxysteroid 6-oxosteroid Alcohol Aliphatic homopolycyclic compound Carbonyl group Cyclic alcohol Cyclohexenone Delta-7-steroid Ecdysteroid Ergostane-skeleton Ergosterol-skeleton Hydrocarbon derivative Hydroxysteroid Ketone Organic oxide Organic oxygen compound Organooxygen compound Oxosteroid Pentahydroxy bile acid, alcohol, or derivatives Polyol Secondary alcohol Tertiary alcohol logp 2.21 ALOGPS logs -3.56 ALOGPS solubility 1.32e-01 g/l ALOGPS melting_point Mp 261.5° logp 2.37 ChemAxon pka_strongest_acidic 13.26 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac 14-(2,3-dihydroxy-5,6-dimethylheptan-2-yl)-4,5,11-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-8-one ChemAxon average_mass 478.6612 ChemAxon mono_mass 478.329439204 ChemAxon smiles CC(C)C(C)CC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C ChemAxon formula C28H46O6 ChemAxon inchi InChI=1S/C28H46O6/c1-15(2)16(3)11-24(32)27(6,33)23-8-10-28(34)18-12-20(29)19-13-21(30)22(31)14-25(19,4)17(18)7-9-26(23,28)5/h12,15-17,19,21-24,30-34H,7-11,13-14H2,1-6H3 ChemAxon inchikey KQBCIGPPRFLKLS-UHFFFAOYSA-N ChemAxon polar_surface_area 118.22 ChemAxon refractivity 131.59 ChemAxon polarizability 54.64 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 6 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 43395 Specdb::MsMs 43396 Specdb::MsMs 43397 Specdb::MsMs 119997 Specdb::MsMs 119998 Specdb::MsMs 119999 Specdb::MsMs 2846531 Specdb::MsMs 2846532 Specdb::MsMs 2846533 Specdb::MsMs 2862433 Specdb::MsMs 2862434 Specdb::MsMs 2862435 Specdb::CMs 21025 Specdb::CMs 45861 Specdb::CMs 161155 HMDB38495 #<Reference:0x00007f0915215000> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322