1.0 2010-04-08 22:11:43 UTC 2019-11-26 03:11:17 UTC FDB015211 Ethyl 7-epi-12-hydroxyjasmonate glucoside Constituent of sage (Salvia officinalis). Ethyl 7-epi-12-hydroxyjasmonate glucoside is found in herbs and spices. Ethyl (3x,7x)-2-(5-hydroxy-2-pentenyl)-3-oxocyclopentaneacetate O-b-D-glucopyranoside Ethyl 7-epi-12-hydroxyjasmonate glucoside C20H32O9 416.4627 416.204632622 ethyl 2-{3-oxo-2-[(2E)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pent-2-en-1-yl]cyclopentyl}acetate ethyl 2-{3-oxo-2-[(2E)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pent-2-en-1-yl]cyclopentyl}acetate 95-01-2 CCOC(=O)CC1CCC(=O)C1C\C=C\CCOC1OC(CO)C(O)C(O)C1O InChI=1S/C20H32O9/c1-2-27-16(23)10-12-7-8-14(22)13(12)6-4-3-5-9-28-20-19(26)18(25)17(24)15(11-21)29-20/h3-4,12-13,15,17-21,24-26H,2,5-11H2,1H3/b4-3+ DALGUVBWVCFIPV-ONEGZZNKSA-N belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. Fatty acyl glycosides of mono- and disaccharides Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides Aliphatic heteromonocyclic compounds Acetals Alkyl glycosides Carboxylic acid esters Cyclic ketones Hexoses Hydrocarbon derivatives Jasmonic acids Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Alkyl glycoside Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic ketone Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Jasmonic acid Ketone Monocarboxylic acid or derivatives Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol logp 0.58 ALOGPS logs -2.29 ALOGPS solubility 2.14e+00 g/l ALOGPS logp -0.29 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -3 ChemAxon iupac ethyl 2-{3-oxo-2-[(2E)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pent-2-en-1-yl]cyclopentyl}acetate ChemAxon average_mass 416.4627 ChemAxon mono_mass 416.204632622 ChemAxon smiles CCOC(=O)CC1CCC(=O)C1C\C=C\CCOC1OC(CO)C(O)C(O)C1O ChemAxon formula C20H32O9 ChemAxon inchi InChI=1S/C20H32O9/c1-2-27-16(23)10-12-7-8-14(22)13(12)6-4-3-5-9-28-20-19(26)18(25)17(24)15(11-21)29-20/h3-4,12-13,15,17-21,24-26H,2,5-11H2,1H3/b4-3+ ChemAxon inchikey DALGUVBWVCFIPV-ONEGZZNKSA-N ChemAxon polar_surface_area 142.75 ChemAxon refractivity 102.42 ChemAxon polarizability 43.67 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 8 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23382 Specdb::CMs 44825 Specdb::CMs 169773 Specdb::NmrOneD 135870 Specdb::NmrOneD 135871 Specdb::NmrOneD 135872 Specdb::NmrOneD 135873 Specdb::NmrOneD 135874 Specdb::NmrOneD 135875 Specdb::NmrOneD 135876 Specdb::NmrOneD 135877 Specdb::NmrOneD 135878 Specdb::NmrOneD 135879 Specdb::NmrOneD 135880 Specdb::NmrOneD 135881 Specdb::NmrOneD 135882 Specdb::NmrOneD 135883 Specdb::NmrOneD 135884 Specdb::NmrOneD 135885 Specdb::NmrOneD 135886 Specdb::NmrOneD 135887 Specdb::NmrOneD 135888 Specdb::NmrOneD 135889 Specdb::MsMs 80781 Specdb::MsMs 80782 Specdb::MsMs 80783 Specdb::MsMs 141738 Specdb::MsMs 141739 Specdb::MsMs 141740 Specdb::MsMs 2355375 Specdb::MsMs 2355376 Specdb::MsMs 2355377 Specdb::MsMs 2606503 Specdb::MsMs 2606504 Specdb::MsMs 2606505 HMDB36340 #<Reference:0x000055ce33555440> Herbs and Spices Unknown generic