1.0 2010-04-08 22:12:19 UTC 2018-05-29 01:25:19 UTC FDB016243 3beta-24-Methylenecycloartan-3-ol Constituent of rice bran oil C31H52O 440.744 440.401816286 7,7,12,16-tetramethyl-15-(6-methyl-5-methylideneheptan-2-yl)pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-ol 7,7,12,16-tetramethyl-15-(6-methyl-5-methylideneheptan-2-yl)pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-ol CC(C)C(=C)CCC(C)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(O)C4(C)C InChI=1S/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h20,22-26,32H,3,9-19H2,1-2,4-8H3 BDHQMRXFDYJGII-UHFFFAOYSA-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-hydroxysteroids Cyclic alcohols and derivatives Hydrocarbon derivatives Secondary alcohols Triterpenoids 3-hydroxysteroid 9b,19-cyclo-lanostane-skeleton Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Cycloartane-skeleton Cycloartanol-skeleton Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Secondary alcohol Triterpenoid a steroid logp 6.52 ALOGPS logs -6.52 ALOGPS solubility 1.33e-04 g/l ALOGPS logp 7.89 ChemAxon pka_strongest_acidic 19.49 ChemAxon pka_strongest_basic -0.84 ChemAxon iupac 7,7,12,16-tetramethyl-15-(6-methyl-5-methylideneheptan-2-yl)pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-ol ChemAxon average_mass 440.744 ChemAxon mono_mass 440.401816286 ChemAxon smiles CC(C)C(=C)CCC(C)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(O)C4(C)C ChemAxon formula C31H52O ChemAxon inchi InChI=1S/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h20,22-26,32H,3,9-19H2,1-2,4-8H3 ChemAxon inchikey BDHQMRXFDYJGII-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 135.51 ChemAxon polarizability 56.59 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25446 Specdb::CMs 45275 Specdb::CMs 120098 Specdb::CMs 124092 Specdb::CMs 147760 Specdb::CMs 816413 Specdb::MsMs 7973 Specdb::MsMs 7974 Specdb::MsMs 7975 Specdb::MsMs 9797 Specdb::MsMs 9798 Specdb::MsMs 9799 Specdb::MsMs 14645 Specdb::MsMs 14646 Specdb::MsMs 14647 Specdb::MsMs 16469 Specdb::MsMs 16470 Specdb::MsMs 16471 Specdb::MsMs 2667553 Specdb::MsMs 2667554 Specdb::MsMs 2667555 Specdb::MsMs 3013856 Specdb::MsMs 3013857 Specdb::MsMs 3013858 HMDB37236 #<Reference:0x000055ce330a8dc0>