1.0 2010-04-08 22:14:07 UTC 2019-11-26 03:17:02 UTC FDB019067 (3alpha,5alpha,22R,23R)-Cholestane-3,22,23-triol Constituent of tomato (Lycopersicon esculentum). (3alpha,5alpha,22R,23R)-Cholestane-3,22,23-triol is found in garden tomato. 6-Deoxo-28-nortyphasterol C27H48O3 420.6682 420.360345402 2-{5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl}-6-methylheptane-3,4-diol 2-{5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl}-6-methylheptane-3,4-diol 378795-16-5 CC(C)CC(O)C(O)C(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C InChI=1S/C27H48O3/c1-16(2)14-24(29)25(30)17(3)21-8-9-22-20-7-6-18-15-19(28)10-12-26(18,4)23(20)11-13-27(21,22)5/h16-25,28-30H,6-15H2,1-5H3 FHSVMYDBGPVTTJ-UHFFFAOYSA-N belongs to the class of organic compounds known as trihydroxy bile acids, alcohols and derivatives. These are prenol lipids structurally characterized by a bile acid or alcohol which bears three hydroxyl groups. Trihydroxy bile acids, alcohols and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives Aliphatic homopolycyclic compounds 3-hydroxysteroids Cholesterols and derivatives Cyclic alcohols and derivatives Hydrocarbon derivatives Secondary alcohols 22-hydroxysteroid 23-hydroxysteroid 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Cholestane-skeleton Cholesterol Cholesterol-skeleton Cyclic alcohol Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Secondary alcohol Trihydroxy bile acid, alcohol, or derivatives logp 4.79 ALOGPS logs -5.10 ALOGPS solubility 3.31e-03 g/l ALOGPS melting_point Mp 213-214° logp 5.13 ChemAxon pka_strongest_acidic 13.76 ChemAxon pka_strongest_basic -1.4 ChemAxon iupac 2-{5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl}-6-methylheptane-3,4-diol ChemAxon average_mass 420.6682 ChemAxon mono_mass 420.360345402 ChemAxon smiles CC(C)CC(O)C(O)C(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C ChemAxon formula C27H48O3 ChemAxon inchi InChI=1S/C27H48O3/c1-16(2)14-24(29)25(30)17(3)21-8-9-22-20-7-6-18-15-19(28)10-12-26(18,4)23(20)11-13-27(21,22)5/h16-25,28-30H,6-15H2,1-5H3 ChemAxon inchikey FHSVMYDBGPVTTJ-UHFFFAOYSA-N ChemAxon polar_surface_area 60.69 ChemAxon refractivity 122.72 ChemAxon polarizability 52.28 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21148 Specdb::CMs 46417 Specdb::CMs 154813 Specdb::MsMs 90342 Specdb::MsMs 90343 Specdb::MsMs 90344 Specdb::MsMs 153477 Specdb::MsMs 153478 Specdb::MsMs 153479 Specdb::MsMs 2774000 Specdb::MsMs 2774001 Specdb::MsMs 2774002 Specdb::MsMs 2904069 Specdb::MsMs 2904070 Specdb::MsMs 2904071 HMDB39463 #<Reference:0x000055ce32193fb0> Garden tomato Type 1 specific Solanum lycopersicum 4081