1.0 2016-05-25 21:15:37 UTC 2026-08-22 07:37:06 UTC (-)-Arctiin SmallMolecule (-)-Arctiin is an organic compound with the chemical formula C27H34O11. (-)-Arctiin belongs to the lignan glycosides, a class of lignans, neolignans and related compounds within the organic compounds. With an average molecular weight of 534.55 g/mol, (-)-Arctiin is a heavy molecule. This compound has been identified in three recorded sources related to food, food processing, and cookware. These sources include the preparation of wort, the preparation of vinegar, and the preparation of wine or sparkling wine. C27H34O11 534.5523 534.21011193 (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methoxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl]oxolan-2-one arctiin 20362-31-6 COC1=CC=C(C[C@H]2COC(=O)[C@@H]2CC2=CC=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(OC)=C2)C=C1OC InChI=1S/C27H34O11/c1-33-18-6-4-14(10-20(18)34-2)8-16-13-36-26(32)17(16)9-15-5-7-19(21(11-15)35-3)37-27-25(31)24(30)23(29)22(12-28)38-27/h4-7,10-11,16-17,22-25,27-31H,8-9,12-13H2,1-3H3/t16-,17+,22+,23+,24-,25+,27+/m0/s1 XOJVHLIYNSOZOO-SWOBOCGESA-N Organic compounds Lignans, neolignans and related compounds Lignan glycosides Lignan glycosides Acetals Alkyl aryl ethers Alkyl glycosides Anisoles Carbonyl compounds Carboxylic acid esters Dibenzylbutyrolactone lignans Dimethoxybenzenes Fatty acyl glycosides of mono- and disaccharides Gamma butyrolactones Hydrocarbon derivatives Lignan lactones Monocarboxylic acids and derivatives Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Phenoxy compounds Polyols Primary alcohols Secondary alcohols Tetrahydrofurans 9,9p-epoxylignan Acetal Alcohol Alkyl aryl ether Alkyl glycoside Anisole Aromatic heteromonocyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dibenzylbutyrolactone Dimethoxybenzene Ether Fatty acyl Fatty acyl glycoside Fatty acyl glycoside of mono- or disaccharide Furanoid lignan Gamma butyrolactone Glycosyl compound Hydrocarbon derivative Lactone Lignan glycoside Lignan lactone Methoxybenzene Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide O-dimethoxybenzene O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Secondary alcohol Tetrahydrofuran Tetrahydrofuran lignan Aromatic heteromonocyclic compounds Lignan glycosides glycoside lignan Detected and Not Quantified logp 1.8 logp 1.71 ALOGPS logs -3.45 ALOGPS solubility 1.92e-01 g/l ALOGPS logp 1.17 ChemAxon pka_strongest_acidic 12.2 ChemAxon pka_strongest_basic -3 ChemAxon iupac (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methoxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl]oxolan-2-one ChemAxon average_mass 534.5523 ChemAxon mono_mass 534.21011193 ChemAxon smiles COC1=CC=C(C[C@H]2COC(=O)[C@@H]2CC2=CC=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(OC)=C2)C=C1OC ChemAxon formula C27H34O11 ChemAxon inchi InChI=1S/C27H34O11/c1-33-18-6-4-14(10-20(18)34-2)8-16-13-36-26(32)17(16)9-15-5-7-19(21(11-15)35-3)37-27-25(31)24(30)23(29)22(12-28)38-27/h4-7,10-11,16-17,22-25,27-31H,8-9,12-13H2,1-3H3/t16-,17+,22+,23+,24-,25+,27+/m0/s1 ChemAxon inchikey XOJVHLIYNSOZOO-SWOBOCGESA-N ChemAxon polar_surface_area 153.37 ChemAxon refractivity 132.26 ChemAxon polarizability 54.3 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 10 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3baf707b40> 100528 90827