1.0 2010-04-08 22:10:18 UTC 2025-11-18 23:38:49 UTC FDB012689 Physalin E Constituent of the famine food Physalis angulata (cutleaf ground cherry). Physalin E is found in herbs and spices and fruits. C28H32O11 544.5471 544.194461866 5,14,16-trihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.1¹⁸,²⁷.0¹,⁵.0²,²⁴.0⁸,¹⁷.0⁹,¹⁴.0²¹,²⁶]nonacos-11-ene-4,10,22,29-tetrone 5,14,16-trihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.1¹⁸,²⁷.0¹,⁵.0²,²⁴.0⁸,¹⁷.0⁹,¹⁴.0²¹,²⁶]nonacos-11-ene-4,10,22,29-tetrone 70241-10-0 CC12OC(=O)C3(O)CCC4C(C(O)CC5(O)CC=CC(=O)C45C)C45OC13C(C4=O)C1(C)CC2OC(=O)C1CO5 InChI=1S/C28H32O11/c1-22-10-16-24(3)28-18(22)19(31)27(39-28,36-11-13(22)20(32)37-16)17-12(6-8-26(28,35)21(33)38-24)23(2)15(30)5-4-7-25(23,34)9-14(17)29/h4-5,12-14,16-18,29,34-35H,6-11H2,1-3H3 YFLAVJCREXGADP-UHFFFAOYSA-N belongs to the class of organic compounds known as physalins and derivatives. These are steroidal constituents of Physalis plants which possess an unusual 13,14-seco-16,24-cyclo-steroidal ring skeleton (where the bond that is normally present between the 13 and 14 positions in other steroids is broken while a new bond between positions 16 and 24 is formed). Physalins and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Physalins and derivatives Aliphatic heteropolycyclic compounds Carboxylic acid esters Cyclic alcohols and derivatives Cyclohexenones Delta valerolactones Dicarboxylic acids and derivatives Furanones Gamma butyrolactones Hydrocarbon derivatives Ketals Organic oxides Oxacyclic compounds Oxanes Oxepanes Polyols Secondary alcohols Tertiary alcohols Tetrahydrofurans 3-furanone Acetal Alcohol Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Cyclohexenone Delta valerolactone Delta_valerolactone Dicarboxylic acid or derivatives Gamma butyrolactone Hydrocarbon derivative Ketal Ketone Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Oxepane Physalin skeleton Polyol Secondary alcohol Tertiary alcohol Tetrahydrofuran logp 0.43 ALOGPS logs -2.18 ALOGPS solubility 3.59e+00 g/l ALOGPS melting_point Mp 305-307° logp 0.63 ChemAxon pka_strongest_acidic 9.07 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 5,14,16-trihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.1¹⁸,²⁷.0¹,⁵.0²,²⁴.0⁸,¹⁷.0⁹,¹⁴.0²¹,²⁶]nonacos-11-ene-4,10,22,29-tetrone ChemAxon average_mass 544.5471 ChemAxon mono_mass 544.194461866 ChemAxon smiles CC12OC(=O)C3(O)CCC4C(C(O)CC5(O)CC=CC(=O)C45C)C45OC13C(C4=O)C1(C)CC2OC(=O)C1CO5 ChemAxon formula C28H32O11 ChemAxon inchi InChI=1S/C28H32O11/c1-22-10-16-24(3)28-18(22)19(31)27(39-28,36-11-13(22)20(32)37-16)17-12(6-8-26(28,35)21(33)38-24)23(2)15(30)5-4-7-25(23,34)9-14(17)29/h4-5,12-14,16-18,29,34-35H,6-11H2,1-3H3 ChemAxon inchikey YFLAVJCREXGADP-UHFFFAOYSA-N ChemAxon polar_surface_area 165.89 ChemAxon refractivity 127.64 ChemAxon polarizability 52.38 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 9 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 6758 Specdb::MsMs 6759 Specdb::MsMs 6760 Specdb::MsMs 13430 Specdb::MsMs 13431 Specdb::MsMs 13432 Specdb::MsMs 2422329 Specdb::MsMs 2422330 Specdb::MsMs 2422331 Specdb::MsMs 2513989 Specdb::MsMs 2513990 Specdb::MsMs 2513991 Specdb::CMs 23438 Specdb::CMs 43819 Specdb::CMs 281570 Specdb::CMs 290386 Specdb::CMs 290387 Specdb::CMs 290388 Specdb::CMs 290389 Specdb::CMs 290390 Specdb::CMs 290391 Specdb::CMs 290392 Specdb::CMs 290393 Specdb::CMs 290394 Specdb::CMs 290395 Specdb::CMs 290396 Specdb::CMs 290397 Specdb::CMs 290398 Specdb::CMs 290399 Specdb::CMs 290400 Specdb::CMs 290401 Specdb::CMs 290402 Specdb::CMs 290403 Specdb::CMs 290404 Specdb::CMs 290405 Specdb::CMs 290406 Specdb::CMs 290407 HMDB34330 #<Reference:0x000055ce32b260c8> Fruits Unknown generic Herbs and Spices Unknown generic