1.0 2010-04-08 22:11:31 UTC 2025-11-19 00:50:32 UTC FDB014887 (3a,22x,24E)-3,22-Dihydroxycycloart-24-en-26-oic acid Constituent of Mangifera indica (mango). (3a,22x,24E)-3,22-Dihydroxycycloart-24-en-26-oic acid is found in fruits. (3a,22x,24E)-3,22-Dihydroxycycloart-24-en-26-oic acid 3,22-Dihydroxycycloart-24-en-26-oic acid C30H48O4 472.6997 472.355260024 (2Z)-5-hydroxy-6-{6-hydroxy-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl}-2-methylhept-2-enoic acid (2Z)-5-hydroxy-6-{6-hydroxy-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl}-2-methylhept-2-enoic acid CC(C(O)C\C=C(\C)C(O)=O)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(O)C4(C)C InChI=1S/C30H48O4/c1-18(25(33)34)7-8-21(31)19(2)20-11-13-28(6)23-10-9-22-26(3,4)24(32)12-14-29(22)17-30(23,29)16-15-27(20,28)5/h7,19-24,31-32H,8-17H2,1-6H3,(H,33,34)/b18-7- WCKMOTWOWWZGCU-WSVATBPTSA-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 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 Secondary alcohols Steroid acids Triterpenoids Unsaturated fatty acids 22-hydroxysteroid 3-hydroxysteroid 9b,19-cyclo-lanostane-skeleton Alcohol Aliphatic homopolycyclic compound 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 bile acid, alcohol, or derivatives Hydroxy fatty acid Hydroxysteroid Medium-chain fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Steroid acid Triterpenoid Unsaturated fatty acid logp 4.54 ALOGPS logs -5.57 ALOGPS solubility 1.27e-03 g/l ALOGPS melting_point Mp 218-220° logp 5.43 ChemAxon pka_strongest_acidic 4.64 ChemAxon pka_strongest_basic -0.55 ChemAxon iupac (2Z)-5-hydroxy-6-{6-hydroxy-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl}-2-methylhept-2-enoic acid ChemAxon average_mass 472.6997 ChemAxon mono_mass 472.355260024 ChemAxon smiles CC(C(O)C\C=C(\C)C(O)=O)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(O)C4(C)C ChemAxon formula C30H48O4 ChemAxon inchi InChI=1S/C30H48O4/c1-18(25(33)34)7-8-21(31)19(2)20-11-13-28(6)23-10-9-22-26(3,4)24(32)12-14-29(22)17-30(23,29)16-15-27(20,28)5/h7,19-24,31-32H,8-17H2,1-6H3,(H,33,34)/b18-7- ChemAxon inchikey WCKMOTWOWWZGCU-WSVATBPTSA-N ChemAxon polar_surface_area 77.76 ChemAxon refractivity 135.34 ChemAxon polarizability 56.92 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23771 Specdb::CMs 44708 Specdb::CMs 134605 Specdb::CMs 142339 Specdb::MsMs 54714 Specdb::MsMs 54715 Specdb::MsMs 54716 Specdb::MsMs 123789 Specdb::MsMs 123790 Specdb::MsMs 123791 Specdb::MsMs 3044686 Specdb::MsMs 3044687 Specdb::MsMs 3044688 Specdb::MsMs 3099121 Specdb::MsMs 3099122 Specdb::MsMs 3099123 HMDB0036063 Fruits Unknown generic