1.0 2010-04-08 22:09:14 UTC 2025-11-18 23:21:05 UTC FDB010647 (3beta,5alpha,9alpha,14alpha,22E,24R)-3,5,9,14-Tetrahydroxyergosta-7,22-dien-6-one Constituent of Lentinus edodes (shiitake), Hypsizygus marmoreus (bunashimeji), Pleurotus ostreatus (oyster mushroom) and Pholiota nameko (nameko). (3beta,5alpha,9alpha,14alpha,22E,24R)-3,5,9,14-Tetrahydroxyergosta-7,22-dien-6-one is found in mushrooms. C28H44O5 460.646 460.318874518 14-[(3E)-5,6-dimethylhept-3-en-2-yl]-1,5,7,11-tetrahydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-8-one 14-[(3E)-5,6-dimethylhept-3-en-2-yl]-1,5,7,11-tetrahydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-8-one 211486-14-5 CC(C)C(C)\C=C\C(C)C1CCC2(O)C3=CC(=O)C4(O)CC(O)CCC4(C)C3(O)CCC12C InChI=1S/C28H44O5/c1-17(2)18(3)7-8-19(4)21-10-12-26(31)22-15-23(30)28(33)16-20(29)9-11-25(28,6)27(22,32)14-13-24(21,26)5/h7-8,15,17-21,29,31-33H,9-14,16H2,1-6H3/b8-7+ RLODFSODJNFIMP-BQYQJAHWSA-N belongs to the class of organic compounds known as ergosterols and derivatives. These are steroids containing ergosta-5,7,22-trien-3beta-ol or a derivative thereof, which is based on the 3beta-hydroxylated ergostane skeleton. Ergosterols and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Ergostane steroids Aliphatic homopolycyclic compounds 14-hydroxysteroids 3-hydroxy delta-7-steroids 6-oxosteroids Cyclic alcohols and derivatives Cyclohexenones Delta-7-steroids Hydrocarbon derivatives Organic oxides Polyols Secondary alcohols Tertiary alcohols 14-hydroxysteroid 3-hydroxy-delta-7-steroid 3-hydroxysteroid 5-hydroxysteroid 6-oxosteroid Alcohol Aliphatic homopolycyclic compound Carbonyl group Cyclic alcohol Cyclohexenone Delta-7-steroid Ergosterol-skeleton Hydrocarbon derivative Hydroxysteroid Ketone Organic oxide Organic oxygen compound Organooxygen compound Oxosteroid Polyol Secondary alcohol Tertiary alcohol logp 3.13 ALOGPS logs -4.52 ALOGPS solubility 1.39e-02 g/l ALOGPS logp 3.65 ChemAxon pka_strongest_acidic 12.45 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac 14-[(3E)-5,6-dimethylhept-3-en-2-yl]-1,5,7,11-tetrahydroxy-2,15-dimethyltetracyclo[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)\C=C\C(C)C1CCC2(O)C3=CC(=O)C4(O)CC(O)CCC4(C)C3(O)CCC12C ChemAxon formula C28H44O5 ChemAxon inchi InChI=1S/C28H44O5/c1-17(2)18(3)7-8-19(4)21-10-12-26(31)22-15-23(30)28(33)16-20(29)9-11-25(28,6)27(22,32)14-13-24(21,26)5/h7-8,15,17-21,29,31-33H,9-14,16H2,1-6H3/b8-7+ ChemAxon inchikey RLODFSODJNFIMP-BQYQJAHWSA-N ChemAxon polar_surface_area 97.99 ChemAxon refractivity 131.03 ChemAxon polarizability 52.18 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12729 Specdb::CMs 42919 Specdb::CMs 132604 Specdb::CMs 140338 Specdb::MsMs 105318 Specdb::MsMs 105319 Specdb::MsMs 105320 Specdb::MsMs 171789 Specdb::MsMs 171790 Specdb::MsMs 171791 Specdb::MsMs 2335957 Specdb::MsMs 2335958 Specdb::MsMs 2335959 Specdb::MsMs 2629298 Specdb::MsMs 2629299 Specdb::MsMs 2629300 HMDB0032690 Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322