1.0 2010-04-08 22:08:17 UTC 2019-11-26 03:03:19 UTC FDB008845 (3beta,5alpha,6alpha,9alpha,22E,24R)-Ergosta-7,22-diene-3,5,6,9-tetrol Constituent of edible mushrooms including Lentinus edodes (shiitake), Flammulina velutipes (enokitake), Hypsizygus marmoreus (bunashimeji), Pleurotus ostreatus (tree oyster) and Pholiota nameko (nameko). (3beta,5alpha,6alpha,9alpha,22E,24R)-Ergosta-7,22-diene-3,5,6,9-tetrol is found in mushrooms. C28H46O4 446.6624 446.33960996 14-[(3E)-5,6-dimethylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-ene-1,5,7,8-tetrol 14-[(3E)-5,6-dimethylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-ene-1,5,7,8-tetrol 211486-15-6 CC(C)C(C)\C=C\C(C)C1CCC2C3=CC(O)C4(O)CC(O)CCC4(C)C3(O)CCC12C InChI=1S/C28H46O4/c1-17(2)18(3)7-8-19(4)21-9-10-22-23-15-24(30)28(32)16-20(29)11-12-26(28,6)27(23,31)14-13-25(21,22)5/h7-8,15,17-22,24,29-32H,9-14,16H2,1-6H3/b8-7+ NYMHFYDQBMRBMB-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 3-hydroxy delta-7-steroids 6-hydroxysteroids Cyclic alcohols and derivatives Delta-7-steroids Hydrocarbon derivatives Polyols Secondary alcohols Tertiary alcohols 3-hydroxy-delta-7-steroid 3-hydroxysteroid 5-hydroxysteroid 6-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Delta-7-steroid Ergosterol-skeleton Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Polyol Secondary alcohol Tertiary alcohol logp 3.75 ALOGPS logs -4.43 ALOGPS solubility 1.64e-02 g/l ALOGPS logp 3.88 ChemAxon pka_strongest_acidic 12.98 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac 14-[(3E)-5,6-dimethylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-ene-1,5,7,8-tetrol ChemAxon average_mass 446.6624 ChemAxon mono_mass 446.33960996 ChemAxon smiles CC(C)C(C)\C=C\C(C)C1CCC2C3=CC(O)C4(O)CC(O)CCC4(C)C3(O)CCC12C ChemAxon formula C28H46O4 ChemAxon inchi InChI=1S/C28H46O4/c1-17(2)18(3)7-8-19(4)21-9-10-22-23-15-24(30)28(32)16-20(29)11-12-26(28,6)27(23,31)14-13-25(21,22)5/h7-8,15,17-22,24,29-32H,9-14,16H2,1-6H3/b8-7+ ChemAxon inchikey NYMHFYDQBMRBMB-BQYQJAHWSA-N ChemAxon polar_surface_area 80.92 ChemAxon refractivity 130.35 ChemAxon polarizability 53.44 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 4 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20739 Specdb::CMs 42758 Specdb::CMs 134551 Specdb::CMs 142285 Specdb::MsMs 80490 Specdb::MsMs 80491 Specdb::MsMs 80492 Specdb::MsMs 141378 Specdb::MsMs 141379 Specdb::MsMs 141380 Specdb::MsMs 2413837 Specdb::MsMs 2413838 Specdb::MsMs 2413839 Specdb::MsMs 2552780 Specdb::MsMs 2552781 Specdb::MsMs 2552782 HMDB32123 #<Reference:0x000055ce316fe910> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322