1.0 2010-04-08 22:11:32 UTC 2025-11-19 00:50:33 UTC FDB014890 27-Hydroxyisomangiferolic acid Constituent of Mangifera indica (mango). 27-Hydroxyisomangiferolic acid is found in fruits. 27-Hydroxyisomangiferolic acid C30H48O4 472.6997 472.355260024 (2Z)-6-{6-hydroxy-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl}-2-(hydroxymethyl)hept-2-enoic acid (2Z)-6-{6-hydroxy-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl}-2-(hydroxymethyl)hept-2-enoic acid 123563-64-4 CC(CC\C=C(\CO)C(O)=O)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(O)C4(C)C InChI=1S/C30H48O4/c1-19(7-6-8-20(17-31)25(33)34)21-11-13-28(5)23-10-9-22-26(2,3)24(32)12-14-29(22)18-30(23,29)16-15-27(21,28)4/h8,19,21-24,31-32H,6-7,9-18H2,1-5H3,(H,33,34)/b20-8- YWPLTMNXKKXXII-ZBKNUEDVSA-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 Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Cyclic alcohols and derivatives Dihydroxy bile acids, alcohols and derivatives Hydrocarbon derivatives Hydroxy fatty acids Medium-chain fatty acids Monocarboxylic acids and derivatives Organic oxides Primary alcohols Secondary alcohols Steroid acids Triterpenoids Unsaturated fatty acids 26-hydroxysteroid 3-hydroxysteroid 9b,19-cyclo-lanostane-skeleton Alcohol Aliphatic homopolycyclic compound Beta-hydroxy acid Bile acid, alcohol, or derivatives Carbonyl group Carboxylic acid Carboxylic acid derivative Cyclic alcohol Cycloartane-skeleton Cycloartanol-skeleton Dihydroxy bile acid, alcohol, or derivatives Fatty acid Fatty acyl Hydrocarbon derivative Hydroxy acid Hydroxy bile acid, alcohol, or derivatives Hydroxy fatty acid Hydroxysteroid Medium-chain fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Primary alcohol Secondary alcohol Steroid acid Triterpenoid Unsaturated fatty acid logp 5.01 ALOGPS logs -6.00 ALOGPS solubility 4.72e-04 g/l ALOGPS melting_point Mp 207-209° logp 5.46 ChemAxon pka_strongest_acidic 4.55 ChemAxon pka_strongest_basic -0.84 ChemAxon iupac (2Z)-6-{6-hydroxy-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl}-2-(hydroxymethyl)hept-2-enoic acid ChemAxon average_mass 472.6997 ChemAxon mono_mass 472.355260024 ChemAxon smiles CC(CC\C=C(\CO)C(O)=O)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(O)C4(C)C ChemAxon formula C30H48O4 ChemAxon inchi InChI=1S/C30H48O4/c1-19(7-6-8-20(17-31)25(33)34)21-11-13-28(5)23-10-9-22-26(2,3)24(32)12-14-29(22)18-30(23,29)16-15-27(21,28)4/h8,19,21-24,31-32H,6-7,9-18H2,1-5H3,(H,33,34)/b20-8- ChemAxon inchikey YWPLTMNXKKXXII-ZBKNUEDVSA-N ChemAxon polar_surface_area 77.76 ChemAxon refractivity 135.53 ChemAxon polarizability 56.52 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13881 Specdb::CMs 44709 Specdb::CMs 136977 Specdb::CMs 144711 Specdb::MsMs 51279 Specdb::MsMs 51280 Specdb::MsMs 51281 Specdb::MsMs 125211 Specdb::MsMs 125212 Specdb::MsMs 125213 Specdb::MsMs 3051458 Specdb::MsMs 3051459 Specdb::MsMs 3051460 Specdb::MsMs 3119380 Specdb::MsMs 3119381 Specdb::MsMs 3119382 HMDB0036064 Fruits Unknown generic