1.0 2010-04-08 22:10:18 UTC 2018-05-28 23:38:36 UTC FDB012690 Portensterol Constituent of Tricholoma portentosum and Clitocybe nebularis (clouded agaric). (3beta,22e)-Ergosta-5,8,22-triene-3,11-diol Ergosta-5,8,22-triene-3,11-diol, (3beta,22E)- Hydroxyisoergosterol Portensterol C28H44O2 412.6478 412.334130652 14-[(3Z)-5,6-dimethylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1(10),7-diene-5,17-diol 14-[(3Z)-5,6-dimethylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1(10),7-diene-5,17-diol 62005-66-7 CC(C)C(C)\C=C/C(C)C1CCC2C3=C(C(O)CC12C)C1(C)CCC(O)CC1=CC3 InChI=1S/C28H44O2/c1-17(2)18(3)7-8-19(4)23-11-12-24-22-10-9-20-15-21(29)13-14-27(20,5)26(22)25(30)16-28(23,24)6/h7-9,17-19,21,23-25,29-30H,10-16H2,1-6H3/b8-7- RJWIGXOAUROSSK-FPLPWBNLSA-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 11-hydroxysteroids 3-hydroxy delta-5-steroids Cyclic alcohols and derivatives Delta-5-steroids Hydrocarbon derivatives Secondary alcohols 11-hydroxysteroid 3-hydroxy-delta-5-steroid 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Delta-5-steroid Ergosterol-skeleton Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Secondary alcohol logp 5.87 ALOGPS logs -4.90 ALOGPS solubility 5.15e-03 g/l ALOGPS melting_point Mp 250° logp 5.36 ChemAxon pka_strongest_acidic 18.27 ChemAxon pka_strongest_basic -0.57 ChemAxon iupac 14-[(3Z)-5,6-dimethylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1(10),7-diene-5,17-diol ChemAxon average_mass 412.6478 ChemAxon mono_mass 412.334130652 ChemAxon smiles CC(C)C(C)\C=C/C(C)C1CCC2C3=C(C(O)CC12C)C1(C)CCC(O)CC1=CC3 ChemAxon formula C28H44O2 ChemAxon inchi InChI=1S/C28H44O2/c1-17(2)18(3)7-8-19(4)23-11-12-24-22-10-9-20-15-21(29)13-14-27(20,5)26(22)25(30)16-28(23,24)6/h7-9,17-19,21,23-25,29-30H,10-16H2,1-6H3/b8-7- ChemAxon inchikey RJWIGXOAUROSSK-FPLPWBNLSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 128.38 ChemAxon polarizability 50.86 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14615 Specdb::CMs 43820 Specdb::CMs 148051 Specdb::MsMs 108267 Specdb::MsMs 108268 Specdb::MsMs 108269 Specdb::MsMs 175449 Specdb::MsMs 175450 Specdb::MsMs 175451 Specdb::MsMs 2700085 Specdb::MsMs 2700086 Specdb::MsMs 2700087 Specdb::MsMs 3004710 Specdb::MsMs 3004711 Specdb::MsMs 3004712 HMDB34331 #<Reference:0x000055ce30860a48>