1.0 2010-04-08 22:10:18 UTC 2019-11-26 03:07:23 UTC FDB012687 Stenocereol Constituent of Stenocereus thurberi (organ pipe cactus). Stenocereol is found in fruits. (4-Methoxybutyl)-cyclohexane (4-methoxybutyl)cyclohexane 1-Methoxy-4-cyclohexylbutane 14a-Methyl-5a-cholesta-8,24-diene-3b,6a-diol Cyclohexane, (4-methoxybutyl)- 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(10)-ene-5,8-diol 2,11,15-trimethyl-14-(6-methylhept-5-en-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-ene-5,8-diol 84780-12-1 CC(CCC=C(C)C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)CC1C(O)C3 InChI=1S/C28H46O2/c1-18(2)8-7-9-19(3)21-11-14-28(6)23-17-25(30)24-16-20(29)10-13-26(24,4)22(23)12-15-27(21,28)5/h8,19-21,24-25,29-30H,7,9-17H2,1-6H3 BHMYRYNHHQYGTN-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 6-hydroxysteroids Cyclic alcohols and derivatives Hydrocarbon derivatives Secondary alcohols 3-hydroxysteroid 6-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Cholesterol-skeleton Cyclic alcohol Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Secondary alcohol logp 5.66 ALOGPS logs -5.04 ALOGPS solubility 3.75e-03 g/l ALOGPS melting_point Mp 150.5-151.5° logp 5.65 ChemAxon pka_strongest_acidic 14.7 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac 2,11,15-trimethyl-14-(6-methylhept-5-en-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-ene-5,8-diol ChemAxon average_mass 414.6636 ChemAxon mono_mass 414.349780716 ChemAxon smiles CC(CCC=C(C)C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)CC1C(O)C3 ChemAxon formula C28H46O2 ChemAxon inchi InChI=1S/C28H46O2/c1-18(2)8-7-9-19(3)21-11-14-28(6)23-17-25(30)24-16-20(29)10-13-26(24,4)22(23)12-15-27(21,28)5/h8,19-21,24-25,29-30H,7,9-17H2,1-6H3 ChemAxon inchikey BHMYRYNHHQYGTN-UHFFFAOYSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 127.27 ChemAxon polarizability 51.8 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20422 Specdb::CMs 43818 Specdb::CMs 133853 Specdb::CMs 141587 Specdb::MsMs 8546 Specdb::MsMs 8547 Specdb::MsMs 8548 Specdb::MsMs 15218 Specdb::MsMs 15219 Specdb::MsMs 15220 Specdb::MsMs 2301150 Specdb::MsMs 2301151 Specdb::MsMs 2301152 Specdb::MsMs 3065129 Specdb::MsMs 3065130 Specdb::MsMs 3065131 HMDB34329 #<Reference:0x000055ce335b6970> Fruits Unknown generic