1.0 2010-04-08 22:10:22 UTC 2019-11-26 03:07:36 UTC FDB012791 Cyclostenol Constituent of Stenocereus thurberi (organ pipe cactus). Cyclostenol is found in fruits. 14a-Methyl-9,19-cyclo-5a,9b-cholestane-3b,6a-diol C28H48O2 416.6795 416.36543078 12,16-dimethyl-15-(6-methylheptan-2-yl)pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecane-6,9-diol 12,16-dimethyl-15-(6-methylheptan-2-yl)pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecane-6,9-diol 84765-67-3 CC(C)CCCC(C)C1CCC2(C)C3CC(O)C4CC(O)CCC44CC34CCC12C InChI=1S/C28H48O2/c1-18(2)7-6-8-19(3)21-10-11-26(5)24-16-23(30)22-15-20(29)9-12-27(22)17-28(24,27)14-13-25(21,26)4/h18-24,29-30H,6-17H2,1-5H3 YYVUMXYSCXRWIL-UHFFFAOYSA-N belongs to the class of organic compounds known as 6-hydroxysteroids. These are steroids carrying a hydroxyl group at the 6-position of the steroid backbone. 6-hydroxysteroids Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Hydroxysteroids Aliphatic homopolycyclic compounds 3-hydroxysteroids Cyclic alcohols and derivatives Hydrocarbon derivatives Secondary alcohols 3-hydroxysteroid 6-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Secondary alcohol logp 5.76 ALOGPS logs -6.36 ALOGPS solubility 1.81e-04 g/l ALOGPS melting_point Mp 222-223° logp 5.9 ChemAxon pka_strongest_acidic 14.75 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac 12,16-dimethyl-15-(6-methylheptan-2-yl)pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecane-6,9-diol ChemAxon average_mass 416.6795 ChemAxon mono_mass 416.36543078 ChemAxon smiles CC(C)CCCC(C)C1CCC2(C)C3CC(O)C4CC(O)CCC44CC34CCC12C ChemAxon formula C28H48O2 ChemAxon inchi InChI=1S/C28H48O2/c1-18(2)7-6-8-19(3)21-10-11-26(5)24-16-23(30)22-15-20(29)9-12-27(22)17-28(24,27)14-13-25(21,26)4/h18-24,29-30H,6-17H2,1-5H3 ChemAxon inchikey YYVUMXYSCXRWIL-UHFFFAOYSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 123.91 ChemAxon polarizability 52.74 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 13025 Specdb::MsMs 13026 Specdb::MsMs 13027 Specdb::MsMs 19697 Specdb::MsMs 19698 Specdb::MsMs 19699 Specdb::MsMs 2687537 Specdb::MsMs 2687538 Specdb::MsMs 2687539 Specdb::MsMs 2994038 Specdb::MsMs 2994039 Specdb::MsMs 2994040 Specdb::CMs 19744 Specdb::CMs 43855 Specdb::CMs 172177 HMDB34401 #<Reference:0x000055ce32fd53d0> Fruits Unknown generic