1.0 2010-04-08 22:11:46 UTC 2019-11-26 03:11:26 UTC FDB015320 (3beta,24xi)-Cycloart-25-ene-3,24,27-triol Constituent of Mangifera indica (mango). (3beta,24xi)-Cycloart-25-ene-3,24,27-triol is found in fruits. C30H50O3 458.7162 458.375995466 6-{6-hydroxy-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl}-2-methylideneheptane-1,3-diol 6-{6-hydroxy-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl}-2-methylideneheptane-1,3-diol CC(CCC(O)C(=C)CO)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(O)C4(C)C InChI=1S/C30H50O3/c1-19(7-8-22(32)20(2)17-31)21-11-13-28(6)24-10-9-23-26(3,4)25(33)12-14-29(23)18-30(24,29)16-15-27(21,28)5/h19,21-25,31-33H,2,7-18H2,1,3-6H3 FAQBQOGZHZJYRV-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 Fatty alcohols Hydrocarbon derivatives Primary alcohols Secondary alcohols Trihydroxy bile acids, alcohols and derivatives Triterpenoids 24-hydroxysteroid 26-hydroxysteroid 3-hydroxysteroid 9b,19-cyclo-lanostane-skeleton Alcohol Aliphatic homopolycyclic compound Bile acid, alcohol, or derivatives Cyclic alcohol Cycloartane-skeleton Cycloartanol-skeleton Fatty acyl Fatty alcohol Hydrocarbon derivative Hydroxy bile acid, alcohol, or derivatives Hydroxysteroid Organic oxygen compound Organooxygen compound Primary alcohol Secondary alcohol Trihydroxy bile acid, alcohol, or derivatives Triterpenoid logp 5.14 ALOGPS logs -5.86 ALOGPS solubility 6.34e-04 g/l ALOGPS melting_point Mp 190-192° logp 5.09 ChemAxon pka_strongest_acidic 14.46 ChemAxon pka_strongest_basic -0.84 ChemAxon iupac 6-{6-hydroxy-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl}-2-methylideneheptane-1,3-diol ChemAxon average_mass 458.7162 ChemAxon mono_mass 458.375995466 ChemAxon smiles CC(CCC(O)C(=C)CO)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(O)C4(C)C ChemAxon formula C30H50O3 ChemAxon inchi InChI=1S/C30H50O3/c1-19(7-8-22(32)20(2)17-31)21-11-13-28(6)24-10-9-23-26(3,4)25(33)12-14-29(23)18-30(24,29)16-15-27(21,28)5/h19,21-25,31-33H,2,7-18H2,1,3-6H3 ChemAxon inchikey FAQBQOGZHZJYRV-UHFFFAOYSA-N ChemAxon polar_surface_area 60.69 ChemAxon refractivity 134.25 ChemAxon polarizability 56.52 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16544 Specdb::CMs 44869 Specdb::CMs 136639 Specdb::CMs 144373 Specdb::MsMs 77163 Specdb::MsMs 77164 Specdb::MsMs 77165 Specdb::MsMs 137217 Specdb::MsMs 137218 Specdb::MsMs 137219 Specdb::MsMs 2272431 Specdb::MsMs 2272432 Specdb::MsMs 2272433 Specdb::MsMs 3069912 Specdb::MsMs 3069913 Specdb::MsMs 3069914 HMDB36433 #<Reference:0x000055ce31faa5f0> Fruits Unknown generic