1.0 2010-04-08 22:10:07 UTC 2019-11-26 03:06:37 UTC FDB012355 Physalin H From the famine food Physalis angulata (cutleaf ground cherry). Physalin H is found in herbs and spices and fruits. Physalin H C28H31ClO10 562.993 562.160574919 14-chloro-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]nonacos-11-ene-4,10,22,29-tetrone 14-chloro-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]nonacos-11-ene-4,10,22,29-tetrone 70241-09-7 CC12OC(=O)C3(O)CCC4C(CC(O)C5(Cl)CC=CC(=O)C45C)C45OC13C(C4=O)C1(C)CC2OC(=O)C1CO5 InChI=1S/C28H31ClO10/c1-22-10-17-24(3)28-18(22)19(32)27(39-28,36-11-14(22)20(33)37-17)13-9-16(31)25(29)7-4-5-15(30)23(25,2)12(13)6-8-26(28,35)21(34)38-24/h4-5,12-14,16-18,31,35H,6-11H2,1-3H3 YNEPXUIPALKHAU-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 Alkyl chlorides Carboxylic acid esters Chlorohydrins Cyclic alcohols and derivatives Cyclohexenones Delta valerolactones Dicarboxylic acids and derivatives Furanones Gamma butyrolactones Hydrocarbon derivatives Ketals Organic oxides Organochlorides Oxacyclic compounds Oxanes Oxepanes Secondary alcohols Tertiary alcohols Tetrahydrofurans 3-furanone Acetal Alcohol Aliphatic heteropolycyclic compound Alkyl chloride Alkyl halide Carbonyl group Carboxylic acid derivative Carboxylic acid ester Chlorohydrin Cyclic alcohol Cyclohexenone Delta valerolactone Delta_valerolactone Dicarboxylic acid or derivatives Gamma butyrolactone Halohydrin Hydrocarbon derivative Ketal Ketone Lactone Organic oxide Organic oxygen compound Organochloride Organohalogen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Oxepane Physalin skeleton Secondary alcohol Tertiary alcohol Tetrahydrofuran logp 1.56 ALOGPS logs -2.88 ALOGPS solubility 7.48e-01 g/l ALOGPS melting_point Mp 238-240° logp 2.11 ChemAxon pka_strongest_acidic 9.68 ChemAxon pka_strongest_basic -3.3 ChemAxon iupac 14-chloro-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]nonacos-11-ene-4,10,22,29-tetrone ChemAxon average_mass 562.993 ChemAxon mono_mass 562.160574919 ChemAxon smiles CC12OC(=O)C3(O)CCC4C(CC(O)C5(Cl)CC=CC(=O)C45C)C45OC13C(C4=O)C1(C)CC2OC(=O)C1CO5 ChemAxon formula C28H31ClO10 ChemAxon inchi InChI=1S/C28H31ClO10/c1-22-10-17-24(3)28-18(22)19(32)27(39-28,36-11-14(22)20(33)37-17)13-9-16(31)25(29)7-4-5-15(30)23(25,2)12(13)6-8-26(28,35)21(34)38-24/h4-5,12-14,16-18,31,35H,6-11H2,1-3H3 ChemAxon inchikey YNEPXUIPALKHAU-UHFFFAOYSA-N ChemAxon polar_surface_area 145.66 ChemAxon refractivity 130.79 ChemAxon polarizability 53.53 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 8 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15264 Specdb::CMs 43703 Specdb::CMs 282043 Specdb::CMs 350395 Specdb::CMs 350396 Specdb::CMs 350397 Specdb::CMs 350398 Specdb::CMs 350399 Specdb::CMs 350400 Specdb::CMs 350401 Specdb::CMs 350402 Specdb::CMs 350403 Specdb::CMs 350404 Specdb::CMs 350405 Specdb::MsMs 84132 Specdb::MsMs 84133 Specdb::MsMs 84134 Specdb::MsMs 145893 Specdb::MsMs 145894 Specdb::MsMs 145895 Specdb::MsMs 2280100 Specdb::MsMs 2280101 Specdb::MsMs 2280102 Specdb::MsMs 3089515 Specdb::MsMs 3089516 Specdb::MsMs 3089517 HMDB34093 #<Reference:0x000055ce316681e0> Fruits Unknown generic Herbs and Spices Unknown generic