1.0 2011-09-21 00:18:04 UTC 2015-10-09 22:29:18 UTC FDB022694 Epi-coprostanol Epi-coprostanol is a 27 carbon stanol formed from the biohydrogenation of cholesterol (cholest-5en-3&#946;-ol) in the gut of most higher animals and birds. It is a breakdown product of 5b-coprastanol and can be found in treated sewage. It is considered to be an antioxidant and is a major constituent of ambergris. [HMDB] (3-a,5-a)-Cholestan-3-ol (3-alpha,5-alpha)-Cholestan-3-ol (3-α,5-α)-cholestan-3-ol 3a-Hydroxy-5a-cholestane 3alpha-Hydroxy-5alpha-cholestane 3α-hydroxy-5α-cholestane 5a-Cholestan-3a-ol 5alpha-Cholestan-3alpha-ol 5b-Cholestan-3a-ol 5b-Cholestane-3a-ol 5b-Cholestanol 5beta-Cholestan-3alpha-ol 5beta-Cholestane-3alpha-ol 5beta-Cholestanol 5α-cholestan-3α-ol a-Coprostanol alpha-Coprostanol Epi-cholestanol Epi-coprostanol Epi-coprosterol Epicoprostanol Epicoprosterol Epidehydrocholesterin Epidihydrocholesterin Presteron C27H48O 388.6694 388.370516158 (1S,2S,5R,7S,10R,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-ol (1S,2S,5R,7S,10R,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-ol 516-95-0 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20+,21-,22+,23-,24+,25+,26+,27-/m1/s1 QYIXCDOBOSTCEI-FBVYSKEZSA-N belongs to the class of organic compounds known as cholesterols and derivatives. Cholesterols and derivatives are compounds containing a 3-hydroxylated cholestane core. Cholesterols and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Cholestane steroids Aliphatic homopolycyclic compounds 3-alpha-hydroxysteroids Cyclic alcohols and derivatives Hydrocarbon derivatives Secondary alcohols 3-alpha-hydroxysteroid 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Cholesterol Cholesterol-skeleton Cyclic alcohol Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Secondary alcohol 3alpha-sterol 5alpha-cholestane Cholesterol and derivatives Solid logp 7.02 ALOGPS logs -7.41 ALOGPS solubility 1.51e-05 g/l ALOGPS logp 7.52 ChemAxon pka_strongest_acidic 18.3 ChemAxon pka_strongest_basic -1.4 ChemAxon iupac (1S,2S,5R,7S,10R,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-ol ChemAxon average_mass 388.6694 ChemAxon mono_mass 388.370516158 ChemAxon smiles [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C ChemAxon formula C27H48O ChemAxon inchi InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20+,21-,22+,23-,24+,25+,26+,27-/m1/s1 ChemAxon inchikey QYIXCDOBOSTCEI-FBVYSKEZSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 119.77 ChemAxon polarizability 51.12 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrTwoD 1676 Specdb::NmrOneD 1735 Specdb::CMs 22282 Specdb::CMs 38131 Specdb::CMs 133017 Specdb::CMs 140751 Specdb::MsMs 46293 Specdb::MsMs 46294 Specdb::MsMs 46295 Specdb::MsMs 116856 Specdb::MsMs 116857 Specdb::MsMs 116858 Specdb::MsMs 2261365 Specdb::MsMs 2261366 Specdb::MsMs 2261367 Specdb::MsMs 3077262 Specdb::MsMs 3077263 Specdb::MsMs 3077264 HMDB01569 #<Reference:0x000055ce31be44c0> #<Reference:0x000055ce31be4308> #<Reference:0x000055ce31be4150> #<Reference:0x000055ce31be3f48> #<Reference:0x000055ce31be3d68> #<Reference:0x000055ce31be3ae8> #<Reference:0x000055ce31be3930> #<Reference:0x000055ce31be3728> #<Reference:0x000055ce31be3520> #<Reference:0x000055ce31be3340> #<Reference:0x000055ce31be3160> #<Reference:0x000055ce31be2f58> #<Reference:0x000055ce31be2d78> #<Reference:0x000055ce31be2b48> #<Reference:0x000055ce31be2990> #<Reference:0x000055ce31be27b0> #<Reference:0x000055ce31be2580> #<Reference:0x000055ce31be23c8> #<Reference:0x000055ce31be21e8> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 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 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823