1.0 2010-04-08 22:13:48 UTC 2019-11-26 03:16:21 UTC FDB018580 Physalin N Constituent of Physalis alkekengi (winter cherry). Physalin N is found in fruits. Physalin N C28H30O10 526.5318 526.18389718 5,16-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-11,14-diene-4,10,22,29-tetrone 5,16-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-11,14-diene-4,10,22,29-tetrone 70286-65-6 CC12OC(=O)C3(O)CCC4C(C(O)C=C5CC=CC(=O)C45C)C45OC13C(C4=O)C1(C)CC2OC(=O)C1CO5 InChI=1S/C28H30O10/c1-23-10-17-25(3)28-19(23)20(31)27(38-28,35-11-14(23)21(32)36-17)18-13(7-8-26(28,34)22(33)37-25)24(2)12(9-15(18)29)5-4-6-16(24)30/h4,6,9,13-15,17-19,29,34H,5,7-8,10-11H2,1-3H3 NYNVPVLQKXUEJM-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 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 Secondary alcohol Tertiary alcohol Tetrahydrofuran logp 1.06 ALOGPS logs -2.64 ALOGPS solubility 1.21e+00 g/l ALOGPS melting_point Mp 252-254° logp 1.62 ChemAxon pka_strongest_acidic 9.08 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 5,16-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-11,14-diene-4,10,22,29-tetrone ChemAxon average_mass 526.5318 ChemAxon mono_mass 526.18389718 ChemAxon smiles CC12OC(=O)C3(O)CCC4C(C(O)C=C5CC=CC(=O)C45C)C45OC13C(C4=O)C1(C)CC2OC(=O)C1CO5 ChemAxon formula C28H30O10 ChemAxon inchi InChI=1S/C28H30O10/c1-23-10-17-25(3)28-19(23)20(31)27(38-28,35-11-14(23)21(32)36-17)18-13(7-8-26(28,34)22(33)37-25)24(2)12(9-15(18)29)5-4-6-16(24)30/h4,6,9,13-15,17-19,29,34H,5,7-8,10-11H2,1-3H3 ChemAxon inchikey NYNVPVLQKXUEJM-UHFFFAOYSA-N ChemAxon polar_surface_area 145.66 ChemAxon refractivity 126.86 ChemAxon polarizability 52.22 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 8 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10880 Specdb::CMs 46249 Specdb::MsMs 11795 Specdb::MsMs 11796 Specdb::MsMs 11797 Specdb::MsMs 18467 Specdb::MsMs 18468 Specdb::MsMs 18469 Specdb::MsMs 2318384 Specdb::MsMs 2318385 Specdb::MsMs 2318386 Specdb::MsMs 2616983 Specdb::MsMs 2616984 Specdb::MsMs 2616985 HMDB39080 #<Reference:0x000055ce324a8638> Fruits Unknown generic