1.0 2010-04-08 22:05:10 UTC 2019-11-26 02:56:47 UTC FDB001944 22,23-Dihydroergosterol Constituent of seed oil of Vitis vinifera (wine grape). 22,23-Dihydroergosterol is found in many foods, some of which are common wheat, fruits, alcoholic beverages, and common mushroom. «DELTA»5,7-Ergostadien-3β-ol «delta»5,7-Ergostadienol 22,23-Dihydroergosterol 22,23-Dihydroergosterol, non-irradiated 24-Methylcholesta-5,7-dien-3-β-ol 24-Methylcholesta-5,7-dien-3-beta -ol 24-Methylcholesta-5,7-dien-3beta-ol 24S-Methylcholesta-5,7-dien-3β-ol 24S-Methylcholesta-5,7-dien-3beta -ol 5,7-Ergostadien-3β-ol 5,7-Ergostadien-3beta -ol 5,7-Ergostadienol Dihydroergosterol Ergosta-5,7-dien-3-ol Ergosta-5,7-dien-3β-ol Ergosta-5,7-dien-3beta -ol Ergosta-5,7-dien-3beta-ol Laquo deltaraquo 5,7-ergostadien-3beta -ol Laquo deltaraquo 5,7-ergostadienol Provitamin D4 Provitamin D7 C28H46O 398.6642 398.354866094 14-(4,6-dimethylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-7,9-dien-5-ol 14-(4,6-dimethylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-7,9-dien-5-ol 516-79-0 CC(C)CC(C)CC(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC12C InChI=1S/C28H46O/c1-18(2)15-19(3)16-20(4)24-9-10-25-23-8-7-21-17-22(29)11-13-27(21,5)26(23)12-14-28(24,25)6/h7-8,18-20,22,24-26,29H,9-17H2,1-6H3 LATVVKIIEPSSHS-UHFFFAOYSA-N belongs to the class of organic compounds known as cholesterols and derivatives. Cholesterols and derivatives are compounds containing a 3-hydroxylated cholestane core. Cholesterols and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Cholestane 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 Cholesterol Cholesterol-skeleton Cyclic alcohol Delta-5-steroid Delta-7-steroid Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Secondary alcohol logp 7.53 ALOGPS logs -6.56 ALOGPS solubility 1.10e-04 g/l ALOGPS melting_point Mp 152-153° logp 6.99 ChemAxon pka_strongest_acidic 18.27 ChemAxon pka_strongest_basic -1.4 ChemAxon iupac 14-(4,6-dimethylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-7,9-dien-5-ol ChemAxon average_mass 398.6642 ChemAxon mono_mass 398.354866094 ChemAxon smiles CC(C)CC(C)CC(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC12C ChemAxon formula C28H46O ChemAxon inchi InChI=1S/C28H46O/c1-18(2)15-19(3)16-20(4)24-9-10-25-23-8-7-21-17-22(29)11-13-27(21,5)26(23)12-14-28(24,25)6/h7-8,18-20,22,24-26,29H,9-17H2,1-6H3 ChemAxon inchikey LATVVKIIEPSSHS-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 126.02 ChemAxon polarizability 49.6 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16631 Specdb::CMs 41775 Specdb::CMs 131357 Specdb::CMs 139091 Specdb::MsMs 96594 Specdb::MsMs 96595 Specdb::MsMs 96596 Specdb::MsMs 161112 Specdb::MsMs 161113 Specdb::MsMs 161114 Specdb::MsMs 2367910 Specdb::MsMs 2367911 Specdb::MsMs 2367912 Specdb::MsMs 2567099 Specdb::MsMs 2567100 Specdb::MsMs 2567101 HMDB30139 #<Reference:0x000055ce32614f58> Alcoholic beverages Unknown generic Common mushroom Type 1 specific Agaricus bisporus 5341 Common wheat Type 1 specific Triticum aestivum 4565 Fruits Unknown generic