1.0 2010-04-08 22:14:49 UTC 2019-11-26 03:18:31 UTC FDB020137 26-Glucosyl-1,3,11,22-tetrahydroxyergosta-5,24-dien-26-oate Constituent of Physalis peruviana (Cape gooseberry). 26-Glucosyl-1,3,11,22-tetrahydroxyergosta-5,24-dien-26-oate is found in fruits. 26-Glucosyl-1,3,11,22-tetrahydroxyergosta-5,24-dien-26-oate 26-O-b-D-Glucopyranosyl-1a,3b,11b,22R-tetrahydroxyergosta-5,24E-dien-26-oate C34H54O11 638.786 638.36661257 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2Z)-5-hydroxy-2,3-dimethyl-6-{3,5,17-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-14-yl}hept-2-enoate 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2Z)-5-hydroxy-2,3-dimethyl-6-{3,5,17-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-14-yl}hept-2-enoate 155510-75-1 CC(C(O)C\C(C)=C(\C)C(=O)OC1OC(CO)C(O)C(O)C1O)C1CCC2C3CC=C4CC(O)CC(O)C4(C)C3C(O)CC12C InChI=1S/C34H54O11/c1-15(16(2)31(43)45-32-30(42)29(41)28(40)25(14-35)44-32)10-23(37)17(3)21-8-9-22-20-7-6-18-11-19(36)12-26(39)34(18,5)27(20)24(38)13-33(21,22)4/h6,17,19-30,32,35-42H,7-14H2,1-5H3/b16-15- PKYGFGNTTYORCF-NXVVXOECSA-N belongs to the class of organic compounds known as tetrahydroxy bile acids, alcohols and derivatives. These are prenol lipids structurally characterized by a bile acid or alcohol which bears four hydroxyl groups. Tetrahydroxy bile acids, alcohols and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives Aliphatic heteropolycyclic compounds 1-hydroxysteroids 11-hydroxysteroids 3-hydroxy delta-5-steroids Acetals Carbonyl compounds Cyclic alcohols and derivatives Delta-5-steroids Enoate esters Ergosterols and derivatives Hexoses Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols 1-hydroxysteroid 11-hydroxysteroid 22-hydroxysteroid 3-hydroxy-delta-5-steroid 3-hydroxysteroid Acetal Alcohol Aliphatic heteropolycyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Delta-5-steroid Enoate ester Ergostane-skeleton Ergosterol-skeleton Hexose monosaccharide Hydrocarbon derivative Hydroxysteroid Monocarboxylic acid or derivatives Monosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Tetrahydroxy bile acid, alcohol, or derivatives logp 0.52 ALOGPS logs -3.34 ALOGPS solubility 2.89e-01 g/l ALOGPS melting_point Mp 210-211° logp 0.19 ChemAxon pka_strongest_acidic 12.19 ChemAxon pka_strongest_basic -0.71 ChemAxon iupac 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2Z)-5-hydroxy-2,3-dimethyl-6-{3,5,17-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-14-yl}hept-2-enoate ChemAxon average_mass 638.786 ChemAxon mono_mass 638.36661257 ChemAxon smiles CC(C(O)C\C(C)=C(\C)C(=O)OC1OC(CO)C(O)C(O)C1O)C1CCC2C3CC=C4CC(O)CC(O)C4(C)C3C(O)CC12C ChemAxon formula C34H54O11 ChemAxon inchi InChI=1S/C34H54O11/c1-15(16(2)31(43)45-32-30(42)29(41)28(40)25(14-35)44-32)10-23(37)17(3)21-8-9-22-20-7-6-18-11-19(36)12-26(39)34(18,5)27(20)24(38)13-33(21,22)4/h6,17,19-30,32,35-42H,7-14H2,1-5H3/b16-15- ChemAxon inchikey PKYGFGNTTYORCF-NXVVXOECSA-N ChemAxon polar_surface_area 197.37 ChemAxon refractivity 164.55 ChemAxon polarizability 70.13 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 10 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25547 Specdb::CMs 600860 Specdb::CMs 600861 Specdb::CMs 600862 Specdb::CMs 600863 Specdb::CMs 600864 Specdb::CMs 600865 Specdb::CMs 600866 Specdb::CMs 600867 Specdb::CMs 600868 Specdb::CMs 600869 Specdb::CMs 600870 Specdb::CMs 600871 Specdb::CMs 600872 Specdb::CMs 600873 Specdb::CMs 600874 Specdb::CMs 600875 Specdb::CMs 600876 Specdb::CMs 600877 Specdb::CMs 600878 Specdb::CMs 600879 Specdb::CMs 600880 Specdb::CMs 600881 Specdb::CMs 600882 Specdb::CMs 600883 Specdb::MsMs 322615 Specdb::MsMs 322616 Specdb::MsMs 322617 Specdb::MsMs 370564 Specdb::MsMs 370565 Specdb::MsMs 370566 Specdb::MsMs 2344541 Specdb::MsMs 2344542 Specdb::MsMs 2344543 Specdb::MsMs 2591152 Specdb::MsMs 2591153 Specdb::MsMs 2591154 HMDB40405 #<Reference:0x000055ce32335800> Fruits Unknown generic