1.0 2010-04-08 22:09:54 UTC 2019-11-26 03:05:45 UTC FDB011926 Physalin A From Physalis alkekengi (winter cherry). Physalin A is found in fruits. Physalin A C28H30O10 526.5318 526.18389718 5,7,18-trihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo[20.3.1.1²,⁵.0³,¹⁸.0³,²¹.0⁶,¹⁵.0⁹,¹⁴]heptacosa-8,11-diene-13,19,24,27-tetrone 5,7,18-trihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo[20.3.1.1²,⁵.0³,¹⁸.0³,²¹.0⁶,¹⁵.0⁹,¹⁴]heptacosa-8,11-diene-13,19,24,27-tetrone 23027-91-0 CC12OC(=O)C3(O)CCC4C(C(O)C=C5CC=CC(=O)C45C)C4(O)OC13C(C4=O)C1(C)CC2OC(=O)C1=C InChI=1S/C28H30O10/c1-12-21(32)36-17-11-23(12,2)19-20(31)27(35)18-14(24(3)13(10-15(18)29)6-5-7-16(24)30)8-9-26(34)22(33)37-25(17,4)28(19,26)38-27/h5,7,10,14-15,17-19,29,34-35H,1,6,8-9,11H2,2-4H3 VELDODQHYQSJOF-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 Cyclic alcohols and derivatives Cyclohexenones Delta valerolactones Dicarboxylic acids and derivatives Enoate esters Furanones Gamma butyrolactones Hemiacetals Hydrocarbon derivatives Organic oxides Oxacyclic compounds Oxanes Polyols Secondary alcohols Tertiary alcohols Tetrahydrofurans 3-furanone Alcohol Aliphatic heteropolycyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Cyclohexenone Delta valerolactone Delta_valerolactone Dicarboxylic acid or derivatives Enoate ester Gamma butyrolactone Hemiacetal Hydrocarbon derivative Ketone Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Physalin skeleton Polyol Secondary alcohol Tertiary alcohol Tetrahydrofuran logp 0.98 ALOGPS logs -2.80 ALOGPS solubility 8.27e-01 g/l ALOGPS melting_point Mp 266° logp 1.88 ChemAxon pka_strongest_acidic 8.22 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 5,7,18-trihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo[20.3.1.1²,⁵.0³,¹⁸.0³,²¹.0⁶,¹⁵.0⁹,¹⁴]heptacosa-8,11-diene-13,19,24,27-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)C4(O)OC13C(C4=O)C1(C)CC2OC(=O)C1=C ChemAxon formula C28H30O10 ChemAxon inchi InChI=1S/C28H30O10/c1-12-21(32)36-17-11-23(12,2)19-20(31)27(35)18-14(24(3)13(10-15(18)29)6-5-7-16(24)30)8-9-26(34)22(33)37-25(17,4)28(19,26)38-27/h5,7,10,14-15,17-19,29,34-35H,1,6,8-9,11H2,2-4H3 ChemAxon inchikey VELDODQHYQSJOF-UHFFFAOYSA-N ChemAxon polar_surface_area 156.66 ChemAxon refractivity 128.4 ChemAxon polarizability 50.91 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 8 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12529 Specdb::CMs 43495 Specdb::MsMs 10508 Specdb::MsMs 10509 Specdb::MsMs 10510 Specdb::MsMs 17180 Specdb::MsMs 17181 Specdb::MsMs 17182 Specdb::MsMs 2759999 Specdb::MsMs 2760000 Specdb::MsMs 2760001 Specdb::MsMs 2945667 Specdb::MsMs 2945668 Specdb::MsMs 2945669 HMDB33773 #<Reference:0x000055ce324755d0> Fruits Unknown generic