1.0 2010-04-08 22:04:43 UTC 2019-11-26 02:55:25 UTC FDB000796 5alpha-Ethoxy-6beta-hydroxy-5,6-dihydrophysalin B Artifact isolated from Physalis alkekengi (winter cherry). 5alpha-Ethoxy-6beta-hydroxy-5,6-dihydrophysalin B is found in fruits. 5alpha-Ethoxy-6beta-hydroxy-5,6-dihydrophysalin B C30H36O11 572.6002 572.225761994 14-ethoxy-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-ethoxy-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 CCOC12CC=CC(=O)C1(C)C1CCC3(O)C(=O)OC4(C)C5CC6(C)C7C(=O)C(OC347)(OCC6C(=O)O5)C1CC2O InChI=1S/C30H36O11/c1-5-37-28-9-6-7-17(31)25(28,3)14-8-10-27(36)23(35)40-26(4)19-12-24(2)16(22(34)39-19)13-38-29(15(14)11-18(28)32)21(33)20(24)30(26,27)41-29/h6-7,14-16,18-20,32,36H,5,8-13H2,1-4H3 GCRPDPKXRPYCEV-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 Dialkyl ethers 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 Dialkyl ether Dicarboxylic acid or derivatives Ether 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 1.51 ALOGPS logs -2.70 ALOGPS solubility 1.15e+00 g/l ALOGPS melting_point Mp 224-226° logp 1.76 ChemAxon pka_strongest_acidic 9.68 ChemAxon pka_strongest_basic -3.3 ChemAxon iupac 14-ethoxy-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 572.6002 ChemAxon mono_mass 572.225761994 ChemAxon smiles CCOC12CC=CC(=O)C1(C)C1CCC3(O)C(=O)OC4(C)C5CC6(C)C7C(=O)C(OC347)(OCC6C(=O)O5)C1CC2O ChemAxon formula C30H36O11 ChemAxon inchi InChI=1S/C30H36O11/c1-5-37-28-9-6-7-17(31)25(28,3)14-8-10-27(36)23(35)40-26(4)19-12-24(2)16(22(34)39-19)13-38-29(15(14)11-18(28)32)21(33)20(24)30(26,27)41-29/h6-7,14-16,18-20,32,36H,5,8-13H2,1-4H3 ChemAxon inchikey GCRPDPKXRPYCEV-UHFFFAOYSA-N ChemAxon polar_surface_area 154.89 ChemAxon refractivity 137.24 ChemAxon polarizability 56.36 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 9 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21852 Specdb::CMs 41481 Specdb::CMs 282378 Specdb::CMs 369755 Specdb::CMs 369756 Specdb::CMs 369757 Specdb::CMs 369758 Specdb::CMs 369759 Specdb::CMs 369760 Specdb::CMs 369761 Specdb::CMs 369762 Specdb::CMs 369763 Specdb::CMs 369764 Specdb::CMs 369765 Specdb::MsMs 6674 Specdb::MsMs 6675 Specdb::MsMs 6676 Specdb::MsMs 13346 Specdb::MsMs 13347 Specdb::MsMs 13348 Specdb::MsMs 2809535 Specdb::MsMs 2809536 Specdb::MsMs 2809537 Specdb::MsMs 2899200 Specdb::MsMs 2899201 Specdb::MsMs 2899202 HMDB29626 #<Reference:0x00007f093c172ef0> Fruits Unknown generic