1.0 2010-04-08 22:10:21 UTC 2025-11-18 23:39:29 UTC FDB012778 Perulactone Constituent of Physalis peruviana (Cape gooseberry). Perulactone is found in fruits. C30H46O7 518.682 518.324353826 14-[2,3-dihydroxy-4-(4-methyl-5-oxooxolan-3-yl)butan-2-yl]-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-3-yl acetate 14-[2,3-dihydroxy-4-(4-methyl-5-oxooxolan-3-yl)butan-2-yl]-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-3-yl acetate 76994-38-2 CC1C(CC(O)C(C)(O)C2CCC3C4CC=C5CC(O)CC(OC(C)=O)C5(C)C4CCC23C)COC1=O InChI=1S/C30H46O7/c1-16-18(15-36-27(16)34)12-25(33)30(5,35)24-9-8-22-21-7-6-19-13-20(32)14-26(37-17(2)31)29(19,4)23(21)10-11-28(22,24)3/h6,16,18,20-26,32-33,35H,7-15H2,1-5H3 ODRFODNLKCBNIK-UHFFFAOYSA-N belongs to the class of organic compounds known as trihydroxy bile acids, alcohols and derivatives. These are prenol lipids structurally characterized by a bile acid or alcohol which bears three hydroxyl groups. Trihydroxy bile acids, alcohols and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives Aliphatic heteropolycyclic compounds 3-hydroxy delta-5-steroids Carbonyl compounds Carboxylic acid esters Cholesterols and derivatives Cyclic alcohols and derivatives Delta-5-steroids Dicarboxylic acids and derivatives Gamma butyrolactones Hydrocarbon derivatives Organic oxides Oxacyclic compounds Secondary alcohols Steroid esters Steroid lactones Tertiary alcohols Tetrahydrofurans 20-hydroxysteroid 22-hydroxysteroid 3-hydroxy-delta-5-steroid 3-hydroxysteroid Alcohol Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cholestane-skeleton Cholesterol-skeleton Cyclic alcohol Delta-5-steroid Dicarboxylic acid or derivatives Gamma butyrolactone Hydrocarbon derivative Hydroxysteroid Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Secondary alcohol Steroid ester Steroid lactone Tertiary alcohol Tetrahydrofuran Trihydroxy bile acid, alcohol, or derivatives logp 2.98 ALOGPS logs -4.84 ALOGPS solubility 7.53e-03 g/l ALOGPS melting_point Mp 239-240° (dimorph.) logp 2.39 ChemAxon pka_strongest_acidic 13.59 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 14-[2,3-dihydroxy-4-(4-methyl-5-oxooxolan-3-yl)butan-2-yl]-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-3-yl acetate ChemAxon average_mass 518.682 ChemAxon mono_mass 518.324353826 ChemAxon smiles CC1C(CC(O)C(C)(O)C2CCC3C4CC=C5CC(O)CC(OC(C)=O)C5(C)C4CCC23C)COC1=O ChemAxon formula C30H46O7 ChemAxon inchi InChI=1S/C30H46O7/c1-16-18(15-36-27(16)34)12-25(33)30(5,35)24-9-8-22-21-7-6-19-13-20(32)14-26(37-17(2)31)29(19,4)23(21)10-11-28(22,24)3/h6,16,18,20-26,32-33,35H,7-15H2,1-5H3 ChemAxon inchikey ODRFODNLKCBNIK-UHFFFAOYSA-N ChemAxon polar_surface_area 113.29 ChemAxon refractivity 138.88 ChemAxon polarizability 58.47 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25352 Specdb::CMs 43852 Specdb::MsMs 83835 Specdb::MsMs 83836 Specdb::MsMs 83837 Specdb::MsMs 145530 Specdb::MsMs 145531 Specdb::MsMs 145532 Specdb::MsMs 2335936 Specdb::MsMs 2335937 Specdb::MsMs 2335938 Specdb::MsMs 2629379 Specdb::MsMs 2629380 Specdb::MsMs 2629381 HMDB34392 #<Reference:0x000055ce322395a0> Fruits Unknown generic