1.0 2010-04-08 22:04:55 UTC 2019-11-26 02:56:16 UTC FDB001305 Stigmastanol Constituent of pot marigold (Calendula officinalis), sweet corn (Zea mays) and Carolina allspice (Calycanthus floridus). Stigmastanol is found in many foods, some of which are corn, fats and oils, pepper (spice), and soy bean. (3b)-Stigmastan-3-ol (3beta,5alpha)-Stigmastan-3-ol (3beta)-Stigmastan-3-ol 24-alpha-ethyl-5 alpha-cholestan-3 beta-ol 24-alpha-ethyl-5 beta-cholestan-3 alpha-ol 24-alpha-Ethylcholestanol 24a-Ethylcholestanol 24alpha-Ethyl5-alpha-cholestan-3-beta-ol 24alpha-Ethylcholestanol 4a-Methyl-5a,14a-lumistan-3b-ol 4a-Methylcampestanol 5,6-Dihydro-b-sitosterol 5,6-Dihydro-beta-sitosterol 5a-Stigmastan-3b-ol 5alpha-Stigmastan-3beta-ol b-Sitostanol Beta-dihydro-sitosterol Beta-sitostanol Dihydro-b-sitosterol Dihydro-beta-sitosterol Dihydrositosterin Dihydrositosterol Fucostanol Sitostanol Spinastanol Stigmastan-3-ol Stigmastan-3beta-ol Stigmastane-3-beta-ol Stigmastanol C29H52O 416.7226 416.401816286 14-(5-ethyl-6-methylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-ol 14-(5-ethyl-6-methylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-ol 83-45-4 CCC(CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C)C(C)C InChI=1S/C29H52O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-27,30H,7-18H2,1-6H3 LGJMUZUPVCAVPU-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 C24-propyl sterols and derivatives Cyclic alcohols and derivatives Hydrocarbon derivatives Secondary alcohols Triterpenoids 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound C24-propyl-sterol-skeleton Cyclic alcohol Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Secondary alcohol Stigmastane-skeleton Triterpenoid a steroid Solid logp 7.23 ALOGPS logs -7.56 ALOGPS solubility 1.14e-05 g/l ALOGPS melting_point Mp 136-137° logp 8.25 ChemAxon pka_strongest_acidic 18.3 ChemAxon pka_strongest_basic -1.4 ChemAxon iupac 14-(5-ethyl-6-methylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-ol ChemAxon average_mass 416.7226 ChemAxon mono_mass 416.401816286 ChemAxon smiles CCC(CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C)C(C)C ChemAxon formula C29H52O ChemAxon inchi InChI=1S/C29H52O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-27,30H,7-18H2,1-6H3 ChemAxon inchikey LGJMUZUPVCAVPU-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 128.92 ChemAxon polarizability 54.53 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 109302 Specdb::CMs 122059 Specdb::CMs 125522 Specdb::MsMs 95934 Specdb::MsMs 95935 Specdb::MsMs 95936 Specdb::MsMs 160311 Specdb::MsMs 160312 Specdb::MsMs 160313 HMDB00494 #<Reference:0x000055ce3233e838> #<Reference:0x000055ce3233e680> #<Reference:0x000055ce3233e4c8> #<Reference:0x000055ce3233e310> #<Reference:0x000055ce3233e158> #<Reference:0x000055ce3233dfa0> #<Reference:0x000055ce3233dde8> Amaranth Type 1 specific Amaranthus 3564 Anatidae Type 1 specific Anatidae 8830 Annual wild rice Type 1 specific Zizania aquatica 75727 Arabica coffee Type 1 specific Coffea arabica 13443 Barley Type 1 specific Hordeum vulgare 4513 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Breakfast cereal Type 2 specific Buffalo Type 1 specific Bubalus bubalis 89462 Bulgur Type 2 specific Canola Type 2 specific 138011 0.0 0.0 0.0 mg/100 g Canola oil Type 2 0.0 0.0 0.0 mg/100 g Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Cereals and cereal products Unknown generic Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Common buckwheat Type 1 specific Fagopyrum esculentum 3617 Common walnut Type 1 specific Juglans regia 51240 0.0 0.0 0.0 mg/100 g Common wheat Type 1 specific Triticum aestivum 4565 Corn Type 1 specific Zea mays 4577 Corn oil Type 2 7.1 7.1 7.1 mg/100 g Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Fats and oils Unknown generic Flour Type 2 specific Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Hard wheat Type 1 specific Triticum durum 4567 Herbs and Spices Unknown generic Horse Type 1 specific Equus caballus 9796 Horseradish tree Type 1 specific Moringa oleifera 3735 Linden Type 1 specific Tilia 64580 Mallard duck Type 1 specific Anas platyrhynchos 8839 Millet Type 1 specific Panicum miliaceum 4540 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Oat Type 1 specific Avena sativa 4498 Olive oil Type 2 1.205 1.205 1.205 mg/100 g Oriental wheat Type 1 specific Triticum turanicum 376534 Ostrich Type 1 specific Struthio camelus 8801 Pepper (Spice) Type 1 specific Piper nigrum 13216 Pheasant Type 1 specific Phasianus colchicus 9054 Pineapple Type 1 specific Ananas comosus 4615 Quail Type 1 specific Phasianidae 9005 Quinoa Type 1 specific Chenopodium quinoa 63459 Rabbit Type 1 specific Leporidae 9979 Red rice Type 1 specific Oryza rufipogon 4529 Rice Type 1 specific Oryza sativa 4530 Robusta coffee Type 1 specific Coffea canephora 49390 Rock ptarmigan Type 1 specific Lagopus muta 64668 Rye Type 1 specific Secale cereale 4550 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Sorghum Type 1 specific Sorghum bicolor 4558 Soy bean Type 1 specific Glycine max 3847 Spelt Type 1 specific Triticum spelta 58933 Squab Type 1 specific Columba 8931 Tartary buckwheat Type 1 specific Fagopyrum tataricum 62330 Teff Type 1 specific Eragrostis tef 110835 Triticale Type 1 specific X Triticosecale rimpaui Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wheat Type 1 specific Triticum 4564 Wild boar Type 1 specific Sus scrofa 9823 Wild rice Type 1 specific Zizania 15949