1.0 2010-04-08 22:11:42 UTC 2019-11-26 03:11:15 UTC FDB015181 23-Methylergosterol Constituent of Lentinula edodes (shiitake). 23-Methylergosterol is found in mushrooms. (3b,22E,24R)-23-Methylergosta-5,7,22-trien-3-ol 23-Methylergosterol C29H46O 410.6749 410.354866094 2,15-dimethyl-14-[(3E)-4,5,6-trimethylhept-3-en-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-7,9-dien-5-ol 2,15-dimethyl-14-[(3E)-4,5,6-trimethylhept-3-en-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-7,9-dien-5-ol 276864-97-2 CC(C)C(C)C(\C)=C\C(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC12C InChI=1S/C29H46O/c1-18(2)21(5)19(3)16-20(4)25-10-11-26-24-9-8-22-17-23(30)12-14-28(22,6)27(24)13-15-29(25,26)7/h8-9,16,18,20-21,23,25-27,30H,10-15,17H2,1-7H3/b19-16+ MNBTWOPOWPOHGH-KNTRCKAVSA-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-5-steroids 3-hydroxy delta-7-steroids Cyclic alcohols and derivatives Delta-5-steroids Delta-7-steroids Hydrocarbon derivatives Secondary alcohols 3-hydroxy-delta-5-steroid 3-hydroxy-delta-7-steroid 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Delta-5-steroid Delta-7-steroid Ergosterol-skeleton Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Secondary alcohol logp 7.37 ALOGPS logs -6.19 ALOGPS solubility 2.65e-04 g/l ALOGPS logp 6.88 ChemAxon pka_strongest_acidic 18.27 ChemAxon pka_strongest_basic -1.4 ChemAxon iupac 2,15-dimethyl-14-[(3E)-4,5,6-trimethylhept-3-en-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-7,9-dien-5-ol ChemAxon average_mass 410.6749 ChemAxon mono_mass 410.354866094 ChemAxon smiles CC(C)C(C)C(\C)=C\C(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC12C ChemAxon formula C29H46O ChemAxon inchi InChI=1S/C29H46O/c1-18(2)21(5)19(3)16-20(4)25-10-11-26-24-9-8-22-17-23(30)12-14-28(22,6)27(24)13-15-29(25,26)7/h8-9,16,18,20-21,23,25-27,30H,10-15,17H2,1-7H3/b19-16+ ChemAxon inchikey MNBTWOPOWPOHGH-KNTRCKAVSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 131.41 ChemAxon polarizability 52.1 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9328 Specdb::CMs 44807 Specdb::CMs 132133 Specdb::CMs 139867 Specdb::MsMs 59298 Specdb::MsMs 59299 Specdb::MsMs 59300 Specdb::MsMs 115407 Specdb::MsMs 115408 Specdb::MsMs 115409 Specdb::MsMs 2343308 Specdb::MsMs 2343309 Specdb::MsMs 2343310 Specdb::MsMs 2594824 Specdb::MsMs 2594825 Specdb::MsMs 2594826 HMDB36312 #<Reference:0x00007f093c0493d0> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322