1.0 2010-04-08 22:11:31 UTC 2019-11-26 03:10:52 UTC FDB014878 Mangiferadiol Constituent of Mangifera indica (mango). Mangiferadiol is found in fruits. Mangiferadiol C30H50O2 442.7168 442.381080844 15-[(5E)-7-hydroxy-6-methylhept-5-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-ol 15-[(5E)-7-hydroxy-6-methylhept-5-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-ol 64396-81-2 CC(CC\C=C(/C)CO)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(O)C4(C)C InChI=1S/C30H50O2/c1-20(18-31)8-7-9-21(2)22-12-14-28(6)24-11-10-23-26(3,4)25(32)13-15-29(23)19-30(24,29)17-16-27(22,28)5/h8,21-25,31-32H,7,9-19H2,1-6H3/b20-8+ KHRXLABAHCIXIJ-DNTJNYDQSA-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 Dihydroxy bile acids, alcohols and derivatives Fatty alcohols Hydrocarbon derivatives Primary alcohols Secondary alcohols Triterpenoids 26-hydroxysteroid 3-hydroxysteroid 9b,19-cyclo-lanostane-skeleton Alcohol Aliphatic homopolycyclic compound Bile acid, alcohol, or derivatives Cyclic alcohol Cycloartane-skeleton Cycloartanol-skeleton Dihydroxy bile acid, alcohol, or derivatives Fatty acyl Fatty alcohol Hydrocarbon derivative Hydroxy bile acid, alcohol, or derivatives Hydroxysteroid Organic oxygen compound Organooxygen compound Primary alcohol Secondary alcohol Triterpenoid logp 6.06 ALOGPS logs -6.54 ALOGPS solubility 1.28e-04 g/l ALOGPS melting_point Mp 154-155° logp 6.27 ChemAxon pka_strongest_acidic 16.64 ChemAxon pka_strongest_basic -0.84 ChemAxon iupac 15-[(5E)-7-hydroxy-6-methylhept-5-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-ol ChemAxon average_mass 442.7168 ChemAxon mono_mass 442.381080844 ChemAxon smiles CC(CC\C=C(/C)CO)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(O)C4(C)C ChemAxon formula C30H50O2 ChemAxon inchi InChI=1S/C30H50O2/c1-20(18-31)8-7-9-21(2)22-12-14-28(6)24-11-10-23-26(3,4)25(32)13-15-29(23)19-30(24,29)17-16-27(22,28)5/h8,21-25,31-32H,7,9-19H2,1-6H3/b20-8+ ChemAxon inchikey KHRXLABAHCIXIJ-DNTJNYDQSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 133.81 ChemAxon polarizability 55.86 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11790 Specdb::CMs 44705 Specdb::CMs 135135 Specdb::CMs 142869 Specdb::MsMs 68775 Specdb::MsMs 68776 Specdb::MsMs 68777 Specdb::MsMs 126885 Specdb::MsMs 126886 Specdb::MsMs 126887 Specdb::MsMs 2803021 Specdb::MsMs 2803022 Specdb::MsMs 2803023 Specdb::MsMs 2879354 Specdb::MsMs 2879355 Specdb::MsMs 2879356 HMDB36056 #<Reference:0x000055ce325d36c0> Fruits Unknown generic