1.0 2010-04-08 22:04:42 UTC 2025-11-18 22:22:54 UTC FDB000773 Stigmastentriol Isolated from Corylus avellana (filbert). Stigmastentriol is found in nuts. Stigmastentriol C29H50O3 446.7055 446.375995466 14-(5-ethyl-3-hydroxy-6-methylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-ene-5,9-diol 14-(5-ethyl-3-hydroxy-6-methylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-ene-5,9-diol CCC(CC(O)C(C)C1CCC2C3C(O)C=C4CC(O)CCC4(C)C3CCC12C)C(C)C InChI=1S/C29H50O3/c1-7-19(17(2)3)14-25(31)18(4)22-8-9-23-27-24(11-13-29(22,23)6)28(5)12-10-21(30)15-20(28)16-26(27)32/h16-19,21-27,30-32H,7-15H2,1-6H3 NZSAHCYFUVNLPX-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-hydroxy delta-5-steroids 7-hydroxysteroids C24-propyl sterols and derivatives Cyclic alcohols and derivatives Delta-5-steroids Hydrocarbon derivatives Secondary alcohols Trihydroxy bile acids, alcohols and derivatives Triterpenoids 22-hydroxysteroid 3-hydroxy-delta-5-steroid 3-hydroxysteroid 7-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Bile acid, alcohol, or derivatives C24-propyl-sterol-skeleton Cyclic alcohol Delta-5-steroid Hydrocarbon derivative Hydroxy bile acid, alcohol, or derivatives Hydroxysteroid Organic oxygen compound Organooxygen compound Secondary alcohol Stigmastane-skeleton Trihydroxy bile acid, alcohol, or derivatives Triterpenoid logp 4.76 ALOGPS logs -4.95 ALOGPS solubility 4.98e-03 g/l ALOGPS melting_point Mp 130-140 , 176-178°° (double Mp) logp 5.38 ChemAxon pka_strongest_acidic 18.2 ChemAxon pka_strongest_basic -0.44 ChemAxon iupac 14-(5-ethyl-3-hydroxy-6-methylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-ene-5,9-diol ChemAxon average_mass 446.7055 ChemAxon mono_mass 446.375995466 ChemAxon smiles CCC(CC(O)C(C)C1CCC2C3C(O)C=C4CC(O)CCC4(C)C3CCC12C)C(C)C ChemAxon formula C29H50O3 ChemAxon inchi InChI=1S/C29H50O3/c1-7-19(17(2)3)14-25(31)18(4)22-8-9-23-27-24(11-13-29(22,23)6)28(5)12-10-21(30)15-20(28)16-26(27)32/h16-19,21-27,30-32H,7-15H2,1-6H3 ChemAxon inchikey NZSAHCYFUVNLPX-UHFFFAOYSA-N ChemAxon polar_surface_area 60.69 ChemAxon refractivity 132.8 ChemAxon polarizability 55.11 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11563 Specdb::CMs 41468 Specdb::CMs 162225 Specdb::MsMs 9476 Specdb::MsMs 9477 Specdb::MsMs 9478 Specdb::MsMs 16148 Specdb::MsMs 16149 Specdb::MsMs 16150 Specdb::MsMs 2785156 Specdb::MsMs 2785157 Specdb::MsMs 2785158 Specdb::MsMs 2923795 Specdb::MsMs 2923796 Specdb::MsMs 2923797 HMDB29607 #<Reference:0x000055ce2f417b90> Nuts Unknown generic