1.0 2010-04-08 22:13:22 UTC 2019-11-26 03:15:22 UTC FDB017871 Polyporusterone E Constituent of Polyporus umbellatus (zhu ling). Polyporusterone E is found in mushrooms. Polyporusterone E C28H44O5 460.646 460.318874518 4,5,11-trihydroxy-2,15-dimethyl-14-{1-[3-(3-methylbutan-2-yl)oxiran-2-yl]ethyl}tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-8-one 4,5,11-trihydroxy-2,15-dimethyl-14-{1-[3-(3-methylbutan-2-yl)oxiran-2-yl]ethyl}tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-8-one 141360-92-1 CC(C)C(C)C1OC1C(C)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C InChI=1S/C28H44O5/c1-14(2)15(3)24-25(33-24)16(4)17-8-10-28(32)19-11-21(29)20-12-22(30)23(31)13-26(20,5)18(19)7-9-27(17,28)6/h11,14-18,20,22-25,30-32H,7-10,12-13H2,1-6H3 BBNQTVHCXTWVJZ-UHFFFAOYSA-N belongs to the class of organic compounds known as cholesterols and derivatives. Cholesterols and derivatives are compounds containing a 3-hydroxylated cholestane core. Cholesterols and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Cholestane steroids Aliphatic heteropolycyclic compounds 14-hydroxysteroids 3-hydroxy delta-7-steroids 6-oxosteroids Cyclic alcohols and derivatives Cyclohexenones Delta-7-steroids Dialkyl ethers Ecdysteroids Epoxides Hydrocarbon derivatives Organic oxides Oxacyclic compounds Polyols Secondary alcohols Tertiary alcohols 14-hydroxysteroid 2-hydroxysteroid 3-hydroxy-delta-7-steroid 3-hydroxysteroid 6-oxosteroid Alcohol Aliphatic heteropolycyclic compound Carbonyl group Cholesterol-skeleton Cyclic alcohol Cyclohexenone Delta-7-steroid Dialkyl ether Ecdysteroid Ether Hydrocarbon derivative Hydroxysteroid Ketone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxirane Oxosteroid Polyol Secondary alcohol Tertiary alcohol logp 3.08 ALOGPS logs -4.39 ALOGPS solubility 1.89e-02 g/l ALOGPS melting_point Mp 232° logp 3.61 ChemAxon pka_strongest_acidic 13.53 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac 4,5,11-trihydroxy-2,15-dimethyl-14-{1-[3-(3-methylbutan-2-yl)oxiran-2-yl]ethyl}tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-8-one ChemAxon average_mass 460.646 ChemAxon mono_mass 460.318874518 ChemAxon smiles CC(C)C(C)C1OC1C(C)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C ChemAxon formula C28H44O5 ChemAxon inchi InChI=1S/C28H44O5/c1-14(2)15(3)24-25(33-24)16(4)17-8-10-28(32)19-11-21(29)20-12-22(30)23(31)13-26(20,5)18(19)7-9-27(17,28)6/h11,14-18,20,22-25,30-32H,7-10,12-13H2,1-6H3 ChemAxon inchikey BBNQTVHCXTWVJZ-UHFFFAOYSA-N ChemAxon polar_surface_area 90.29 ChemAxon refractivity 127.91 ChemAxon polarizability 52.89 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11444 Specdb::CMs 45864 Specdb::CMs 159855 Specdb::MsMs 47169 Specdb::MsMs 47170 Specdb::MsMs 47171 Specdb::MsMs 139995 Specdb::MsMs 139996 Specdb::MsMs 139997 Specdb::MsMs 2772560 Specdb::MsMs 2772561 Specdb::MsMs 2772562 Specdb::MsMs 2909276 Specdb::MsMs 2909277 Specdb::MsMs 2909278 HMDB38498 #<Reference:0x000055ce305fc928> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322