1.0 2010-04-08 22:13:32 UTC 2019-11-26 03:15:47 UTC FDB018161 Osmanthuside C Isolated from Osmanthus fragrans (sweet osmanthus). Osmanthuside C is found in herbs and spices. Osmanthuside C C23H26O9 446.4471 446.15768243 4,5-dihydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxan-3-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate 4,5-dihydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxan-3-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate 97457-19-7 OCC1OC(OCCC2=CC=C(O)C=C2)C(O)C(O)C1OC(=O)\C=C\C1=CC=C(O)C=C1 InChI=1S/C23H26O9/c24-13-18-22(32-19(27)10-5-14-1-6-16(25)7-2-14)20(28)21(29)23(31-18)30-12-11-15-3-8-17(26)9-4-15/h1-10,18,20-26,28-29H,11-13H2/b10-5+ TXIKDCCKEBXQGU-BJMVGYQFSA-N belongs to the class of organic compounds known as coumaric acid esters. These are aromatic compounds containing an ester derivative of coumaric acid. Coumaric acid esters Organic compounds Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Aromatic heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Acetals Carbonyl compounds Cinnamic acid esters Coumaric acids and derivatives Enoate esters Fatty acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Primary alcohols Secondary alcohols Styrenes Tyrosols and derivatives 1-hydroxy-2-unsubstituted benzenoid Acetal Alcohol Alpha,beta-unsaturated carboxylic ester Aromatic heteromonocyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cinnamic acid ester Coumaric acid ester Coumaric acid or derivatives Enoate ester Fatty acid ester Fatty acyl Glycosyl compound Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Primary alcohol Secondary alcohol Styrene Tyrosol derivative logp 1.31 ALOGPS logs -3.06 ALOGPS solubility 3.89e-01 g/l ALOGPS melting_point Mp 187-190° logp 2.15 ChemAxon pka_strongest_acidic 9.33 ChemAxon pka_strongest_basic -3 ChemAxon iupac 4,5-dihydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxan-3-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate ChemAxon average_mass 446.4471 ChemAxon mono_mass 446.15768243 ChemAxon smiles OCC1OC(OCCC2=CC=C(O)C=C2)C(O)C(O)C1OC(=O)\C=C\C1=CC=C(O)C=C1 ChemAxon formula C23H26O9 ChemAxon inchi InChI=1S/C23H26O9/c24-13-18-22(32-19(27)10-5-14-1-6-16(25)7-2-14)20(28)21(29)23(31-18)30-12-11-15-3-8-17(26)9-4-15/h1-10,18,20-26,28-29H,11-13H2/b10-5+ ChemAxon inchikey TXIKDCCKEBXQGU-BJMVGYQFSA-N ChemAxon polar_surface_area 145.91 ChemAxon refractivity 113.57 ChemAxon polarizability 46.29 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 8 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26383 Specdb::CMs 46029 Specdb::CMs 155546 Specdb::MsMs 48006 Specdb::MsMs 48007 Specdb::MsMs 48008 Specdb::MsMs 147909 Specdb::MsMs 147910 Specdb::MsMs 147911 Specdb::MsMs 3043435 Specdb::MsMs 3043436 Specdb::MsMs 3043437 Specdb::MsMs 3099841 Specdb::MsMs 3099842 Specdb::MsMs 3099843 HMDB38748 #<Reference:0x000055ce3351b060> Herbs and Spices Unknown generic