1.0 2011-06-03 22:11:58 UTC 2025-11-19 02:40:11 UTC FDB021856 5beta-Cholestane 5beta-cholestane, also known as coprostane or pseudocholestane, is a member of the class of compounds known as cholestane steroids. Cholestane steroids are steroids with a structure containing the 27-carbon cholestane skeleton. Thus, 5beta-cholestane is considered to be a sterol lipid molecule. 5beta-cholestane can be found in rice, which makes 5beta-cholestane a potential biomarker for the consumption of this food product. (5beta)-Cholestane beta-Cholestane Coprostane Pseudocholestane psi-Cholestane C27H48 372.67 372.375601536 (1S,2S,7S,10R,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane 5β-cholestane 481-20-9 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])CCCC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C InChI=1S/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21+,22+,23-,24+,25+,26+,27-/m1/s1 XIIAYQZJNBULGD-CJPSHIORSA-N belongs to the class of organic compounds known as cholestane steroids. These are steroids with a structure containing the 27-carbon cholestane skeleton. Cholestane steroids Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Cholestane steroids Aliphatic homopolycyclic compounds Polycyclic hydrocarbons Saturated hydrocarbons Aliphatic homopolycyclic compound Cholestane-skeleton Hydrocarbon Polycyclic hydrocarbon Saturated hydrocarbon Cholesterol and derivatives cholestane solid logp 7.66 ALOGPS logs -7.75 ALOGPS solubility 6.61e-06 g/l ALOGPS melting_point Mp 71 - 72° logp 8.91 ChemAxon iupac (1S,2S,7S,10R,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane ChemAxon average_mass 372.67 ChemAxon mono_mass 372.375601536 ChemAxon smiles [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])CCCC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C ChemAxon formula C27H48 ChemAxon inchi InChI=1S/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21+,22+,23-,24+,25+,26+,27-/m1/s1 ChemAxon inchikey XIIAYQZJNBULGD-CJPSHIORSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 118.1 ChemAxon polarizability 49.92 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1706 Specdb::MsMs 1325140 Specdb::MsMs 1325141 Specdb::MsMs 1325142 Specdb::MsMs 1439488 Specdb::MsMs 1439489 Specdb::MsMs 1439490 Specdb::MsMs 3606967 Specdb::MsMs 3606968 Specdb::MsMs 3606969 Specdb::MsMs 3606970 Specdb::MsMs 3606971 Specdb::MsMs 3606972 35517 Rice Type 1 specific Oryza sativa 4530