1.0 2010-04-08 22:15:44 UTC 2025-11-19 02:38:15 UTC FDB021505 (3alpha,22R,23R,24S)-3,22,23-Trihydroxystigmastan-6-one Constituent of ricebran (Oryza sativa). (3alpha,22R,23R,24S)-3,22,23-Trihydroxystigmastan-6-one is found in cereals and cereal products and rice. 28-Homotyphasterol C29H50O4 462.7049 462.370910088 14-(5-ethyl-3,4-dihydroxy-6-methylheptan-2-yl)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-8-one 14-(5-ethyl-3,4-dihydroxy-6-methylheptan-2-yl)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-8-one 90524-90-6 CCC(C(C)C)C(O)C(O)C(C)C1CCC2C3CC(=O)C4CC(O)CCC4(C)C3CCC12C InChI=1S/C29H50O4/c1-7-19(16(2)3)27(33)26(32)17(4)21-8-9-22-20-15-25(31)24-14-18(30)10-12-29(24,6)23(20)11-13-28(21,22)5/h16-24,26-27,30,32-33H,7-15H2,1-6H3 DYENWMUXSKPFLC-UHFFFAOYSA-N belongs to the class of organic compounds known as stigmastanes and derivatives. These are sterol lipids with a structure based on the stigmastane skeleton, which consists of a cholestane moiety bearing an ethyl group at the carbon atom C24. Stigmastanes and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Stigmastanes and derivatives Aliphatic homopolycyclic compounds 3-hydroxysteroids 6-oxosteroids C24-propyl sterols and derivatives Cyclic alcohols and derivatives Ecdysteroids Hydrocarbon derivatives Ketones Organic oxides Secondary alcohols Trihydroxy bile acids, alcohols and derivatives Triterpenoids 22-hydroxysteroid 23-hydroxysteroid 3-hydroxysteroid 6-oxosteroid Alcohol Aliphatic homopolycyclic compound Bile acid, alcohol, or derivatives C24-propyl-sterol-skeleton Carbonyl group Cyclic alcohol Ecdysteroid Hydrocarbon derivative Hydroxy bile acid, alcohol, or derivatives Hydroxysteroid Ketone Organic oxide Organic oxygen compound Organooxygen compound Oxosteroid Secondary alcohol Stigmastane-skeleton Trihydroxy bile acid, alcohol, or derivatives Triterpenoid logp 4.14 ALOGPS logs -4.64 ALOGPS solubility 1.05e-02 g/l ALOGPS logp 5.02 ChemAxon pka_strongest_acidic 13.64 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac 14-(5-ethyl-3,4-dihydroxy-6-methylheptan-2-yl)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-8-one ChemAxon average_mass 462.7049 ChemAxon mono_mass 462.370910088 ChemAxon smiles CCC(C(C)C)C(O)C(O)C(C)C1CCC2C3CC(=O)C4CC(O)CCC4(C)C3CCC12C ChemAxon formula C29H50O4 ChemAxon inchi InChI=1S/C29H50O4/c1-7-19(16(2)3)27(33)26(32)17(4)21-8-9-22-20-15-25(31)24-14-18(30)10-12-29(24,6)23(20)11-13-28(21,22)5/h16-24,26-27,30,32-33H,7-15H2,1-6H3 ChemAxon inchikey DYENWMUXSKPFLC-UHFFFAOYSA-N ChemAxon polar_surface_area 77.76 ChemAxon refractivity 132.46 ChemAxon polarizability 55.57 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11826 Specdb::CMs 46530 Specdb::CMs 137207 Specdb::CMs 144941 Specdb::MsMs 9218 Specdb::MsMs 9219 Specdb::MsMs 9220 Specdb::MsMs 10550 Specdb::MsMs 10551 Specdb::MsMs 10552 Specdb::MsMs 15890 Specdb::MsMs 15891 Specdb::MsMs 15892 Specdb::MsMs 17222 Specdb::MsMs 17223 Specdb::MsMs 17224 Specdb::MsMs 2710472 Specdb::MsMs 2710473 Specdb::MsMs 2710474 Specdb::MsMs 2994872 Specdb::MsMs 2994873 Specdb::MsMs 2994874 HMDB39713 #<Reference:0x000055ce324504b0> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Rice Type 1 specific Oryza sativa 4530