1.0 2010-04-08 22:10:19 UTC 2019-11-26 03:07:25 UTC FDB012700 Physalin G Constituent of the famine food Physalis angulata (cutleaf ground cherry). Physalin G is found in herbs and spices and fruits. C28H30O10 526.5318 526.18389718 5,15-dihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.1¹⁸,²⁷.0¹,⁵.0²,²⁴.0⁸,¹⁷.0⁹,¹⁴.0²¹,²⁶]nonacosa-11,13-diene-4,10,22,29-tetrone 5,15-dihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.1¹⁸,²⁷.0¹,⁵.0²,²⁴.0⁸,¹⁷.0⁹,¹⁴.0²¹,²⁶]nonacosa-11,13-diene-4,10,22,29-tetrone 76045-38-0 CC12OC(=O)C3(O)CCC4C(CC(O)C5=CC=CC(=O)C45C)C45OC13C(C4=O)C1(C)CC2OC(=O)C1CO5 InChI=1S/C28H30O10/c1-23-10-18-25(3)28-19(23)20(31)27(38-28,35-11-15(23)21(32)36-18)14-9-16(29)13-5-4-6-17(30)24(13,2)12(14)7-8-26(28,34)22(33)37-25/h4-6,12,14-16,18-19,29,34H,7-11H2,1-3H3 CGVBSJOSWAZUIF-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 Delta valerolactones Dicarboxylic acids and derivatives Furanones Gamma butyrolactones Hydrocarbon derivatives Ketals Ketones Organic oxides 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 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 Secondary alcohol Tertiary alcohol Tetrahydrofuran logp 1.37 ALOGPS logs -2.70 ALOGPS solubility 1.06e+00 g/l ALOGPS melting_point Mp 295-296° logp 1.35 ChemAxon pka_strongest_acidic 9.68 ChemAxon pka_strongest_basic -3 ChemAxon iupac 5,15-dihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.1¹⁸,²⁷.0¹,⁵.0²,²⁴.0⁸,¹⁷.0⁹,¹⁴.0²¹,²⁶]nonacosa-11,13-diene-4,10,22,29-tetrone ChemAxon average_mass 526.5318 ChemAxon mono_mass 526.18389718 ChemAxon smiles CC12OC(=O)C3(O)CCC4C(CC(O)C5=CC=CC(=O)C45C)C45OC13C(C4=O)C1(C)CC2OC(=O)C1CO5 ChemAxon formula C28H30O10 ChemAxon inchi InChI=1S/C28H30O10/c1-23-10-18-25(3)28-19(23)20(31)27(38-28,35-11-15(23)21(32)36-18)14-9-16(29)13-5-4-6-17(30)24(13,2)12(14)7-8-26(28,34)22(33)37-25/h4-6,12,14-16,18-19,29,34H,7-11H2,1-3H3 ChemAxon inchikey CGVBSJOSWAZUIF-UHFFFAOYSA-N ChemAxon polar_surface_area 145.66 ChemAxon refractivity 127.22 ChemAxon polarizability 50.95 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 8 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13243 Specdb::CMs 43826 Specdb::MsMs 62553 Specdb::MsMs 62554 Specdb::MsMs 62555 Specdb::MsMs 119301 Specdb::MsMs 119302 Specdb::MsMs 119303 Specdb::MsMs 2827326 Specdb::MsMs 2827327 Specdb::MsMs 2827328 Specdb::MsMs 2851891 Specdb::MsMs 2851892 Specdb::MsMs 2851893 HMDB34340 #<Reference:0x000055ce300477d0> Fruits Unknown generic Herbs and Spices Unknown generic