1.0 2010-04-08 22:10:12 UTC 2019-11-26 03:06:54 UTC FDB012497 3beta-Ergosta-5,23-dien-3-ol Constituent of Zea mays (sweet corn). 3beta-Ergosta-5,23-dien-3-ol is found in cereals and cereal products, fats and oils, and corn. 24-MDHC 24-Methyl-23-dehydrocholesterol C28H46O 398.6642 398.354866094 (2R,5S,14R,15R)-14-[(2R,4E)-5,6-dimethylhept-4-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-ol (2R,5S,14R,15R)-14-[(2R,4E)-5,6-dimethylhept-4-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-ol 72962-53-9 CC(C)C(\C)=C\C[C@@H](C)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7,9,18,20,22-26,29H,8,10-17H2,1-6H3/b19-7+/t20-,22+,23?,24-,25?,26?,27+,28-/m1/s1 CRJHBQFJDHZHGO-QTKXVCRCSA-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-beta-hydroxy delta-5-steroids 3-beta-hydroxysteroids Cyclic alcohols and derivatives Delta-5-steroids Hydrocarbon derivatives Secondary alcohols 3-beta-hydroxy-delta-5-steroid 3-beta-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 7.13 ALOGPS logs -6.63 ALOGPS solubility 9.44e-05 g/l ALOGPS logp 6.99 ChemAxon pka_strongest_acidic 18.2 ChemAxon pka_strongest_basic -1.4 ChemAxon iupac (2R,5S,14R,15R)-14-[(2R,4E)-5,6-dimethylhept-4-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-ol ChemAxon average_mass 398.6642 ChemAxon mono_mass 398.354866094 ChemAxon smiles CC(C)C(\C)=C\C[C@@H](C)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C ChemAxon formula C28H46O ChemAxon inchi InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7,9,18,20,22-26,29H,8,10-17H2,1-6H3/b19-7+/t20-,22+,23?,24-,25?,26?,27+,28-/m1/s1 ChemAxon inchikey CRJHBQFJDHZHGO-QTKXVCRCSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 126.02 ChemAxon polarizability 51.2 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19842 Specdb::CMs 43761 Specdb::CMs 147931 Specdb::MsMs 101892 Specdb::MsMs 101893 Specdb::MsMs 101894 Specdb::MsMs 167583 Specdb::MsMs 167584 Specdb::MsMs 167585 Specdb::MsMs 2470323 Specdb::MsMs 2470324 Specdb::MsMs 2470325 Specdb::MsMs 2494808 Specdb::MsMs 2494809 Specdb::MsMs 2494810 HMDB34199 #<Reference:0x000055ce31863648> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Corn Type 1 specific Zea mays 4577 Fats and oils Unknown generic