1.0 2010-04-08 22:14:17 UTC 2019-11-26 03:17:23 UTC FDB019325 25,27-Dihydro-4,7-didehydro-7-deoxyphysalin A Constituent of Physalis alkekengi (winter cherry). 25,27-Dihydro-4,7-didehydro-7-deoxyphysalin A is found in fruits. Etrenol Hicantona Hycanthon Hycanthone Hycanthone (usan/inn) Hycanthone [usan:inn] Hycanthone mesylate Hycanthonum Lucanthone metabolite C28H30O9 510.5324 510.188982558 6,19-dihydroxy-1,15,22,26-tetramethyl-4,21,24-trioxaheptacyclo[21.3.1.0²,⁶.0³,¹⁹.0³,²².0⁷,¹⁶.0¹⁰,¹⁵]heptacosa-8,10,12-triene-5,14,20,25-tetrone 6,19-dihydroxy-1,15,22,26-tetramethyl-4,21,24-trioxaheptacyclo[21.3.1.0²,⁶.0³,¹⁹.0³,²².0⁷,¹⁶.0¹⁰,¹⁵]heptacosa-8,10,12-triene-5,14,20,25-tetrone 134434-71-2 CC1C(=O)OC2CC1(C)C1C3(O)C4C=CC5=CC=CC(=O)C5(C)C4CCC4(O)C(=O)OC2(C)C14OC3=O InChI=1S/C28H30O9/c1-13-19(30)35-18-12-23(13,2)20-27(34)16-9-8-14-6-5-7-17(29)24(14,3)15(16)10-11-26(33)21(31)36-25(18,4)28(20,26)37-22(27)32/h5-9,13,15-16,18,20,33-34H,10-12H2,1-4H3 NSFHPMKDYVTYOY-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 Delta valerolactones Gamma butyrolactones Hydrocarbon derivatives Ketones Organic oxides Oxacyclic compounds Oxanes Tertiary alcohols Tetrahydrofurans Tricarboxylic acids and derivatives Alcohol Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Delta valerolactone Delta_valerolactone Gamma butyrolactone Hydrocarbon derivative Ketone Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Physalin skeleton Tertiary alcohol Tetrahydrofuran Tricarboxylic acid or derivatives logp 1.95 ALOGPS logs -3.33 ALOGPS solubility 2.40e-01 g/l ALOGPS melting_point Mp 273-275° (synth) logp 1.63 ChemAxon pka_strongest_acidic 11.11 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 6,19-dihydroxy-1,15,22,26-tetramethyl-4,21,24-trioxaheptacyclo[21.3.1.0²,⁶.0³,¹⁹.0³,²².0⁷,¹⁶.0¹⁰,¹⁵]heptacosa-8,10,12-triene-5,14,20,25-tetrone ChemAxon average_mass 510.5324 ChemAxon mono_mass 510.188982558 ChemAxon smiles CC1C(=O)OC2CC1(C)C1C3(O)C4C=CC5=CC=CC(=O)C5(C)C4CCC4(O)C(=O)OC2(C)C14OC3=O ChemAxon formula C28H30O9 ChemAxon inchi InChI=1S/C28H30O9/c1-13-19(30)35-18-12-23(13,2)20-27(34)16-9-8-14-6-5-7-17(29)24(14,3)15(16)10-11-26(33)21(31)36-25(18,4)28(20,26)37-22(27)32/h5-9,13,15-16,18,20,33-34H,10-12H2,1-4H3 ChemAxon inchikey NSFHPMKDYVTYOY-UHFFFAOYSA-N ChemAxon polar_surface_area 136.43 ChemAxon refractivity 127.99 ChemAxon polarizability 49.97 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11424 Specdb::CMs 46519 Specdb::MsMs 49407 Specdb::MsMs 49408 Specdb::MsMs 49409 Specdb::MsMs 139116 Specdb::MsMs 139117 Specdb::MsMs 139118 Specdb::MsMs 2373306 Specdb::MsMs 2373307 Specdb::MsMs 2373308 Specdb::MsMs 2565857 Specdb::MsMs 2565858 Specdb::MsMs 2565859 HMDB39696 #<Reference:0x000055ce3186bd48> Fruits Unknown generic