1.0 2010-04-08 22:07:07 UTC 2019-11-26 03:01:07 UTC FDB006390 25-Hydroxy-24-methoxycycloartanol 25-hydroxy-24-methoxycycloartanol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 25-hydroxy-24-methoxycycloartanol can be found in rice, which makes 25-hydroxy-24-methoxycycloartanol a potential biomarker for the consumption of this food product. C30H52O3 460.7321 460.39164553 (1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R)-6-hydroxy-5-methoxyheptan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-ol (1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R)-6-hydroxy-5-methoxyheptan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-ol [H][C@@]12CC[C@]3([H])[C@]4(C[C@@]14CC[C@]1(C)[C@H](CC[C@@]21C)[C@H](C)CCC(OC)C(C)O)CC[C@H](O)C3(C)C InChI=1S/C30H52O3/c1-19(8-9-22(33-7)20(2)31)21-12-14-28(6)24-11-10-23-26(3,4)25(32)13-15-29(23)18-30(24,29)17-16-27(21,28)5/h19-25,31-32H,8-18H2,1-7H3/t19-,20?,21-,22?,23+,24+,25+,27-,28+,29-,30+/m1/s1 KCKYABDSAUPMLI-XUDURKDJSA-N belongs to the class of organic compounds known as cycloartanols and derivatives. These are steroids containing a cycloartanol moiety. Cycloartanols and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Cycloartanols and derivatives Aliphatic homopolycyclic compounds 3-beta-hydroxysteroids Cyclic alcohols and derivatives Dialkyl ethers Dihydroxy bile acids, alcohols and derivatives Fatty alcohols Hydrocarbon derivatives Secondary alcohols Triterpenoids 25-hydroxysteroid 3-beta-hydroxysteroid 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Bile acid, alcohol, or derivatives Cyclic alcohol Cycloartane-skeleton Cycloartanol-skeleton Dialkyl ether Dihydroxy bile acid, alcohol, or derivatives Ether Fatty acyl Fatty alcohol Hydrocarbon derivative Hydroxy bile acid, alcohol, or derivatives Hydroxysteroid Organic oxygen compound Organooxygen compound Secondary alcohol Triterpenoid logp 5.29 ALOGPS logs -6.48 ALOGPS solubility 1.53e-04 g/l ALOGPS logp 5.77 ChemAxon pka_strongest_acidic 14.51 ChemAxon pka_strongest_basic -0.83 ChemAxon iupac (1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R)-6-hydroxy-5-methoxyheptan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-ol ChemAxon average_mass 460.7321 ChemAxon mono_mass 460.39164553 ChemAxon smiles [H][C@@]12CC[C@]3([H])[C@]4(C[C@@]14CC[C@]1(C)[C@H](CC[C@@]21C)[C@H](C)CCC(OC)C(C)O)CC[C@H](O)C3(C)C ChemAxon formula C30H52O3 ChemAxon inchi InChI=1S/C30H52O3/c1-19(8-9-22(33-7)20(2)31)21-12-14-28(6)24-11-10-23-26(3,4)25(32)13-15-29(23)18-30(24,29)17-16-27(21,28)5/h19-25,31-32H,8-18H2,1-7H3/t19-,20?,21-,22?,23+,24+,25+,27-,28+,29-,30+/m1/s1 ChemAxon inchikey KCKYABDSAUPMLI-XUDURKDJSA-N ChemAxon polar_surface_area 49.69 ChemAxon refractivity 134.49 ChemAxon polarizability 57.1 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 62949 Specdb::MsMs 62950 Specdb::MsMs 62951 Specdb::MsMs 119790 Specdb::MsMs 119791 Specdb::MsMs 119792 Specdb::MsMs 3602927 Specdb::MsMs 3602928 Specdb::MsMs 3602929 Specdb::MsMs 3602930 Specdb::MsMs 3602931 Specdb::MsMs 3602932 Rice Type 1 specific Oryza sativa 4530