1.0 2010-04-08 22:15:13 UTC 2025-11-19 02:33:24 UTC FDB020716 Physalin Q Constituent of Physalis alkekengi (winter cherry). Physalin Q is found in fruits. Physalin Q C28H30O12 558.5306 558.173726424 2,19-dihydroxy-13,16,23-trimethyl-6,10,17,26,27,30-hexaoxanonacyclo[23.2.2.1⁵,¹⁴.1⁵,¹⁵.0¹,²³.0⁴,²².0⁸,¹³.0¹¹,¹⁶.0¹⁵,¹⁹]hentriacont-28-ene-9,18,24,31-tetrone 2,19-dihydroxy-13,16,23-trimethyl-6,10,17,26,27,30-hexaoxanonacyclo[23.2.2.1⁵,¹⁴.1⁵,¹⁵.0¹,²³.0⁴,²².0⁸,¹³.0¹¹,¹⁶.0¹⁵,¹⁹]hentriacont-28-ene-9,18,24,31-tetrone 76045-35-7 CC12OC(=O)C3(O)CCC4C(CC(O)C56OOC(C=C5)C(=O)C46C)C45OC13C(C4=O)C1(C)CC2OC(=O)C1CO5 InChI=1S/C28H30O12/c1-22-9-16-24(3)28-17(22)19(31)27(39-28,35-10-13(22)20(32)36-16)12-8-15(29)26-7-5-14(38-40-26)18(30)23(26,2)11(12)4-6-25(28,34)21(33)37-24/h5,7,11-17,29,34H,4,6,8-10H2,1-3H3 IRYOOASWRCIZCK-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 1,2-dioxanes Carboxylic acid esters Cyclic alcohols and derivatives Cyclohexenones Delta valerolactones Dialkyl peroxides Dicarboxylic acids and derivatives Furanones Gamma butyrolactones Hydrocarbon derivatives Ketals Oxacyclic compounds Oxanes Oxepanes 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 Dialkyl peroxide Dicarboxylic acid or derivatives Gamma butyrolactone Hydrocarbon derivative Ketal Ketone Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Ortho-dioxane Oxacycle Oxane Oxepane Physalin skeleton Secondary alcohol Tertiary alcohol Tetrahydrofuran logp 0.76 ALOGPS logs -2.31 ALOGPS solubility 2.72e+00 g/l ALOGPS melting_point Mp 300° logp 1.18 ChemAxon pka_strongest_acidic 9.68 ChemAxon pka_strongest_basic -3.3 ChemAxon iupac 2,19-dihydroxy-13,16,23-trimethyl-6,10,17,26,27,30-hexaoxanonacyclo[23.2.2.1⁵,¹⁴.1⁵,¹⁵.0¹,²³.0⁴,²².0⁸,¹³.0¹¹,¹⁶.0¹⁵,¹⁹]hentriacont-28-ene-9,18,24,31-tetrone ChemAxon average_mass 558.5306 ChemAxon mono_mass 558.173726424 ChemAxon smiles CC12OC(=O)C3(O)CCC4C(CC(O)C56OOC(C=C5)C(=O)C46C)C45OC13C(C4=O)C1(C)CC2OC(=O)C1CO5 ChemAxon formula C28H30O12 ChemAxon inchi InChI=1S/C28H30O12/c1-22-9-16-24(3)28-17(22)19(31)27(39-28,35-10-13(22)20(32)36-16)12-8-15(29)26-7-5-14(38-40-26)18(30)23(26,2)11(12)4-6-25(28,34)21(33)37-24/h5,7,11-17,29,34H,4,6,8-10H2,1-3H3 ChemAxon inchikey IRYOOASWRCIZCK-UHFFFAOYSA-N ChemAxon polar_surface_area 164.12 ChemAxon refractivity 126.52 ChemAxon polarizability 52.41 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 10 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 101451 Specdb::MsMs 101452 Specdb::MsMs 101453 Specdb::MsMs 167082 Specdb::MsMs 167083 Specdb::MsMs 167084 Specdb::MsMs 2834028 Specdb::MsMs 2834029 Specdb::MsMs 2834030 Specdb::MsMs 2871788 Specdb::MsMs 2871789 Specdb::MsMs 2871790 Specdb::CMs 16156 Specdb::CMs 43831 Specdb::CMs 281954 Specdb::CMs 342400 Specdb::CMs 342401 Specdb::CMs 342402 Specdb::CMs 342403 Specdb::CMs 342404 Specdb::CMs 342405 Specdb::CMs 342406 Specdb::CMs 342407 Specdb::CMs 342408 Specdb::CMs 342409 Specdb::CMs 342410 Specdb::CMs 342411 Specdb::CMs 342412 Specdb::CMs 342413 Specdb::CMs 342414 Specdb::CMs 342415 Specdb::CMs 342416 Specdb::CMs 342417 Specdb::CMs 342418 HMDB34347 #<Reference:0x000055ce31a834a0> Fruits Unknown generic