1.0 2010-04-08 22:09:48 UTC 2025-11-18 23:30:42 UTC FDB011748 5,6:8,9-Diepoxyergost-22-ene-3,7alpha-diol Isol. form Hypsizygus marmoreus (bunashimeji). 5,6:8,9-Diepoxyergost-22-ene-3,7alpha-diol is found in mushrooms. 5,6:8,9-Diepoxy-24-methylcholest-22-ene-3,7-diol 5,6:8,9-Diepoxyergost-22-ene-3,7-diol 5,6:8,9-Diepoxyergost-22-ene-3,7alpha-diol 5alpha,6alpha:8alpha,9alpha-Diepoxy-(22E)-ergosta-22-ene-3beta,7alpha-diol C28H44O4 444.6466 444.323959896 15-[(3E)-5,6-dimethylhept-3-en-2-yl]-2,16-dimethyl-8,19-dioxahexacyclo[9.7.1.0¹,¹¹.0²,⁷.0⁷,⁹.0¹²,¹⁶]nonadecane-5,10-diol 15-[(3E)-5,6-dimethylhept-3-en-2-yl]-2,16-dimethyl-8,19-dioxahexacyclo[9.7.1.0¹,¹¹.0²,⁷.0⁷,⁹.0¹²,¹⁶]nonadecane-5,10-diol 243449-51-6 CC(C)C(C)\C=C\C(C)C1CCC2C34OC3(CCC12C)C1(C)CCC(O)CC11OC1C4O InChI=1S/C28H44O4/c1-16(2)17(3)7-8-18(4)20-9-10-21-24(20,5)13-14-27-25(6)12-11-19(29)15-26(25)23(31-26)22(30)28(21,27)32-27/h7-8,16-23,29-30H,9-15H2,1-6H3/b8-7+ KAQBBVJKPGNKRN-BQYQJAHWSA-N belongs to the class of organic compounds known as ergostane steroids. These are steroids with a structure based on the ergostane skeleton, which arises from the methylation of cholestane at the 24-position. Ergostane steroids Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Ergostane steroids Aliphatic heteropolycyclic compounds Cyclic alcohols and derivatives Dialkyl ethers Epoxides Hydrocarbon derivatives Oxacyclic compounds Oxepanes Secondary alcohols Alcohol Aliphatic heteropolycyclic compound Cyclic alcohol Dialkyl ether Ergostane-skeleton Ether Hydrocarbon derivative Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxepane Oxirane Secondary alcohol logp 4.41 ALOGPS logs -5.96 ALOGPS solubility 4.86e-04 g/l ALOGPS logp 4.61 ChemAxon pka_strongest_acidic 12.86 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac 15-[(3E)-5,6-dimethylhept-3-en-2-yl]-2,16-dimethyl-8,19-dioxahexacyclo[9.7.1.0¹,¹¹.0²,⁷.0⁷,⁹.0¹²,¹⁶]nonadecane-5,10-diol ChemAxon average_mass 444.6466 ChemAxon mono_mass 444.323959896 ChemAxon smiles CC(C)C(C)\C=C\C(C)C1CCC2C34OC3(CCC12C)C1(C)CCC(O)CC11OC1C4O ChemAxon formula C28H44O4 ChemAxon inchi InChI=1S/C28H44O4/c1-16(2)17(3)7-8-18(4)20-9-10-21-24(20,5)13-14-27-25(6)12-11-19(29)15-26(25)23(31-26)22(30)28(21,27)32-27/h7-8,16-23,29-30H,9-15H2,1-6H3/b8-7+ ChemAxon inchikey KAQBBVJKPGNKRN-BQYQJAHWSA-N ChemAxon polar_surface_area 65.52 ChemAxon refractivity 125.14 ChemAxon polarizability 51.73 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26059 Specdb::CMs 43409 Specdb::CMs 148134 Specdb::MsMs 79362 Specdb::MsMs 79363 Specdb::MsMs 79364 Specdb::MsMs 139929 Specdb::MsMs 139930 Specdb::MsMs 139931 Specdb::MsMs 2348825 Specdb::MsMs 2348826 Specdb::MsMs 2348827 Specdb::MsMs 2586457 Specdb::MsMs 2586458 Specdb::MsMs 2586459 HMDB0033647 Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322