1.0 2010-04-08 22:09:39 UTC 2019-11-26 03:04:56 UTC FDB011457 (5x,6x)-5,6-Epoxyergosta-7,22-dien-3-ol Constituent of Armillaria mellea (honey mushroom). (5x,6x)-5,6-Epoxyergosta-7,22-dien-3-ol is found in mushrooms. (5x,6x)-5,6-Epoxyergosta-7,22-dien-3-ol C28H44O2 412.6478 412.334130652 15-[(3E)-5,6-dimethylhept-3-en-2-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadec-10-en-5-ol 15-[(3E)-5,6-dimethylhept-3-en-2-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadec-10-en-5-ol 216302-95-3 CC(C)C(C)\C=C\C(C)C1CCC2C3=CC4OC44CC(O)CCC4(C)C3CCC12C InChI=1S/C28H44O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-15-25-28(30-25)16-20(29)11-14-27(28,6)24(21)12-13-26(22,23)5/h7-8,15,17-20,22-25,29H,9-14,16H2,1-6H3/b8-7+ KVMYKLHJBYIOKD-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 3-hydroxy delta-7-steroids 5,6-epoxysteroids Cyclic alcohols and derivatives Delta-7-steroids Dialkyl ethers Epoxides Hydrocarbon derivatives Oxacyclic compounds Secondary alcohols 3-hydroxy-delta-7-steroid 5,6-epoxysteroid Alcohol Aliphatic heteropolycyclic compound Cyclic alcohol Delta-7-steroid Dialkyl ether Ergostane-skeleton Ether Hydrocarbon derivative Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxirane Secondary alcohol logp 5.94 ALOGPS logs -6.59 ALOGPS solubility 1.07e-04 g/l ALOGPS melting_point Mp 229-231° logp 6.05 ChemAxon pka_strongest_acidic 15.16 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac 15-[(3E)-5,6-dimethylhept-3-en-2-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadec-10-en-5-ol ChemAxon average_mass 412.6478 ChemAxon mono_mass 412.334130652 ChemAxon smiles CC(C)C(C)\C=C\C(C)C1CCC2C3=CC4OC44CC(O)CCC4(C)C3CCC12C ChemAxon formula C28H44O2 ChemAxon inchi InChI=1S/C28H44O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-15-25-28(30-25)16-20(29)11-14-27(28,6)24(21)12-13-26(22,23)5/h7-8,15,17-20,22-25,29H,9-14,16H2,1-6H3/b8-7+ ChemAxon inchikey KVMYKLHJBYIOKD-BQYQJAHWSA-N ChemAxon polar_surface_area 32.76 ChemAxon refractivity 125.46 ChemAxon polarizability 50.63 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 84936 Specdb::MsMs 84937 Specdb::MsMs 84938 Specdb::MsMs 146916 Specdb::MsMs 146917 Specdb::MsMs 146918 Specdb::MsMs 2332748 Specdb::MsMs 2332749 Specdb::MsMs 2332750 Specdb::MsMs 2632889 Specdb::MsMs 2632890 Specdb::MsMs 2632891 Specdb::CMs 25552 Specdb::CMs 43283 Specdb::CMs 165190 HMDB33421 #<Reference:0x000055ce328658e8> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322