1.0 2010-04-08 22:15:24 UTC 2019-11-26 03:19:44 UTC FDB020993 (3beta,5alpha,7alpha)-14-Methylcholesta-9(11),24-diene-3,7-diol Constituent of the tubers of Colocasia esculenta (taro). (3beta,5alpha,7alpha)-14-Methylcholesta-9(11),24-diene-3,7-diol is found in root vegetables. C28H46O2 414.6636 414.349780716 2,11,15-trimethyl-14-(6-methylhept-5-en-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(17)-ene-5,9-diol 2,11,15-trimethyl-14-(6-methylhept-5-en-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(17)-ene-5,9-diol 138523-61-2 CC(CCC=C(C)C)C1CCC2(C)C3C(O)CC4CC(O)CCC4(C)C3=CCC12C InChI=1S/C28H46O2/c1-18(2)8-7-9-19(3)22-11-15-28(6)25-23(12-14-27(22,28)5)26(4)13-10-21(29)16-20(26)17-24(25)30/h8,12,19-22,24-25,29-30H,7,9-11,13-17H2,1-6H3 GVYKPOLJSCOPHA-UHFFFAOYSA-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-hydroxysteroids 7-hydroxysteroids Cyclic alcohols and derivatives Hydrocarbon derivatives Secondary alcohols 3-hydroxysteroid 7-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Cholesterol-skeleton Cyclic alcohol Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Secondary alcohol logp 6.70 ALOGPS logs -5.23 ALOGPS solubility 2.44e-03 g/l ALOGPS logp 5.7 ChemAxon pka_strongest_acidic 18.36 ChemAxon pka_strongest_basic -0.44 ChemAxon iupac 2,11,15-trimethyl-14-(6-methylhept-5-en-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(17)-ene-5,9-diol ChemAxon average_mass 414.6636 ChemAxon mono_mass 414.349780716 ChemAxon smiles CC(CCC=C(C)C)C1CCC2(C)C3C(O)CC4CC(O)CCC4(C)C3=CCC12C ChemAxon formula C28H46O2 ChemAxon inchi InChI=1S/C28H46O2/c1-18(2)8-7-9-19(3)22-11-15-28(6)25-23(12-14-27(22,28)5)26(4)13-10-21(29)16-20(26)17-24(25)30/h8,12,19-22,24-25,29-30H,7,9-11,13-17H2,1-6H3 ChemAxon inchikey GVYKPOLJSCOPHA-UHFFFAOYSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 127.53 ChemAxon polarizability 51.59 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 288295 Specdb::MsMs 288296 Specdb::MsMs 288297 Specdb::MsMs 327367 Specdb::MsMs 327368 Specdb::MsMs 327369 Specdb::MsMs 2450626 Specdb::MsMs 2450627 Specdb::MsMs 2450628 Specdb::MsMs 2488446 Specdb::MsMs 2488447 Specdb::MsMs 2488448 Specdb::CMs 10094 Specdb::CMs 47123 Specdb::CMs 151666 HMDB41111 #<Reference:0x000055ce323290f0> Root vegetables Unknown generic