1.0 2010-04-08 22:11:30 UTC 2019-11-26 03:10:49 UTC FDB014835 Mangiferdesmethylursanone Constituent of the root bark of Mangifera indica (mango). Mangiferdesmethylursanone is found in fruits. Mangiferdesmethylursanone C29H48O2 428.6902 428.36543078 11-hydroxy-4,4,6a,6b,8a,12,14b-heptamethyl-docosahydropicen-3-one 11-hydroxy-4,4,6a,6b,8a,12,14b-heptamethyl-hexadecahydropicen-3-one 259144-62-2 CC1C(O)CCC2(C)CCC3(C)C(CCC4C5(C)CCC(=O)C(C)(C)C5CCC34C)C12 InChI=1S/C29H48O2/c1-18-20(30)10-13-26(4)16-17-28(6)19(24(18)26)8-9-22-27(5)14-12-23(31)25(2,3)21(27)11-15-29(22,28)7/h18-22,24,30H,8-17H2,1-7H3 KUBDEHGZXKPATK-UHFFFAOYSA-N belongs to the class of organic compounds known as cyclic alcohols and derivatives. These are organic compounds containing an aliphatic ring substituted with at least one hydroxyl group. Cyclic alcohols and derivatives Organic compounds Organic oxygen compounds Organooxygen compounds Alcohols and polyols Aliphatic homopolycyclic compounds Cyclic ketones Hydrocarbon derivatives Organic oxides Secondary alcohols Aliphatic homopolycyclic compound Carbonyl group Cyclic alcohol Cyclic ketone Hydrocarbon derivative Ketone Organic oxide Secondary alcohol logp 5.42 ALOGPS logs -6.85 ALOGPS solubility 6.10e-05 g/l ALOGPS melting_point Mp 228-229° logp 6.76 ChemAxon pka_strongest_acidic 18.9 ChemAxon pka_strongest_basic -1.1 ChemAxon iupac 11-hydroxy-4,4,6a,6b,8a,12,14b-heptamethyl-docosahydropicen-3-one ChemAxon average_mass 428.6902 ChemAxon mono_mass 428.36543078 ChemAxon smiles CC1C(O)CCC2(C)CCC3(C)C(CCC4C5(C)CCC(=O)C(C)(C)C5CCC34C)C12 ChemAxon formula C29H48O2 ChemAxon inchi InChI=1S/C29H48O2/c1-18-20(30)10-13-26(4)16-17-28(6)19(24(18)26)8-9-22-27(5)14-12-23(31)25(2,3)21(27)11-15-29(22,28)7/h18-22,24,30H,8-17H2,1-7H3 ChemAxon inchikey KUBDEHGZXKPATK-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 127.35 ChemAxon polarizability 52.88 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20433 Specdb::CMs 44690 Specdb::CMs 135858 Specdb::CMs 143592 Specdb::MsMs 85668 Specdb::MsMs 85669 Specdb::MsMs 85670 Specdb::MsMs 147804 Specdb::MsMs 147805 Specdb::MsMs 147806 Specdb::MsMs 2846405 Specdb::MsMs 2846406 Specdb::MsMs 2846407 Specdb::MsMs 2862178 Specdb::MsMs 2862179 Specdb::MsMs 2862180 HMDB36018 #<Reference:0x000055ce315a35e8> Fruits Unknown generic