1.0 2010-04-08 22:13:15 UTC 2019-11-26 03:15:03 UTC FDB017690 (3beta,5beta,8beta,22E,24xi)-Ergosta-6,22-diene-3,5,8-triol Constituent of Gyroporus castaneus (chestnut bolete). (3beta,5beta,8beta,22E,24xi)-Ergosta-6,22-diene-3,5,8-triol is found in mushrooms. C28H46O3 430.663 430.344695338 14-[(3E)-5,6-dimethylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-8-ene-5,7,10-triol 14-[(3E)-5,6-dimethylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-8-ene-5,7,10-triol 288847-52-9 CC(C)C(C)\C=C\C(C)C1CCC2C1(C)CCC1C2(O)C=CC2(O)CC(O)CCC12C InChI=1S/C28H46O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26,30)15-16-28(23,24)31/h7-8,15-16,18-24,29-31H,9-14,17H2,1-6H3/b8-7+ UPJVQRZPXLZUET-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-hydroxysteroids Cyclic alcohols and derivatives Hydrocarbon derivatives Polyols Secondary alcohols Tertiary alcohols 3-hydroxysteroid 5-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Ergosterol-skeleton Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Polyol Secondary alcohol Tertiary alcohol logp 4.78 ALOGPS logs -5.50 ALOGPS solubility 1.37e-03 g/l ALOGPS logp 5 ChemAxon pka_strongest_acidic 13.59 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-8-ene-5,7,10-triol ChemAxon average_mass 430.663 ChemAxon mono_mass 430.344695338 ChemAxon smiles CC(C)C(C)\C=C\C(C)C1CCC2C1(C)CCC1C2(O)C=CC2(O)CC(O)CCC12C ChemAxon formula C28H46O3 ChemAxon inchi InChI=1S/C28H46O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26,30)15-16-28(23,24)31/h7-8,15-16,18-24,29-31H,9-14,17H2,1-6H3/b8-7+ ChemAxon inchikey UPJVQRZPXLZUET-BQYQJAHWSA-N ChemAxon polar_surface_area 60.69 ChemAxon refractivity 129.25 ChemAxon polarizability 52.18 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11352 Specdb::CMs 45777 Specdb::CMs 133969 Specdb::CMs 141703 Specdb::MsMs 53589 Specdb::MsMs 53590 Specdb::MsMs 53591 Specdb::MsMs 161430 Specdb::MsMs 161431 Specdb::MsMs 161432 Specdb::MsMs 2459539 Specdb::MsMs 2459540 Specdb::MsMs 2459541 Specdb::MsMs 2475665 Specdb::MsMs 2475666 Specdb::MsMs 2475667 HMDB38353 #<Reference:0x000055ce32704ad0> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322