1.0 2016-06-03 12:27:12 UTC 2026-09-01 00:59:39 UTC (3R,3aR,6R,6aR)-6-[(4-{[4-(acryloyloxy)benzoyl]oxy}-3-methoxybenzoyl)oxy]hexahydrofuro[3,2-b]furan-3-yl 4-{[4-(acryloyloxy)benzoyl]oxy}-3-methoxybenzoate SmallMolecule (3R,3aR,6R,6aR)-6-[(4-{[4-(acryloyloxy)benzoyl]oxy}-3-methoxybenzoyl)oxy]hexahydrofuro[3,2-b]furan-3-yl 4-{[4-(acryloyloxy)benzoyl]oxy}-3-methoxybenzoate belongs to the depsides and depsidones, a class of phenylpropanoids and polyketides within the organic compounds. With an average molecular weight of 794.72 g/mol, (3R,3aR,6R,6aR)-6-[(4-{[4-(acryloyloxy)benzoyl]oxy}-3-methoxybenzoyl)oxy]hexahydrofuro[3,2-b]furan-3-yl 4-{[4-(acryloyloxy)benzoyl]oxy}-3-methoxybenzoate is a heavy molecule. This compound has the chemical formula C42H34O16. It has been found in drinking water and water supply, with the recorded exposure route being oral. C42H34O16 794.718 794.184685015 (3R,3aR,6R,6aR)-6-{3-methoxy-4-[4-(prop-2-enoyloxy)benzoyloxy]benzoyloxy}-hexahydrofuro[3,2-b]furan-3-yl 3-methoxy-4-[4-(prop-2-enoyloxy)benzoyloxy]benzoate (3R,3aR,6R,6aR)-6-{3-methoxy-4-[4-(prop-2-enoyloxy)benzoyloxy]benzoyloxy}-hexahydrofuro[3,2-b]furan-3-yl 3-methoxy-4-[4-(prop-2-enoyloxy)benzoyloxy]benzoate 1174050-26-0 [H][C@]1(CO[C@]2([H])[C@@]([H])(CO[C@]12[H])OC(=O)C1=CC(OC)=C(OC(=O)C2=CC=C(OC(=O)C=C)C=C2)C=C1)OC(=O)C1=CC(OC)=C(OC(=O)C2=CC=C(OC(=O)C=C)C=C2)C=C1 InChI=1S/C42H34O16/c1-5-35(43)53-27-13-7-23(8-14-27)39(45)55-29-17-11-25(19-31(29)49-3)41(47)57-33-21-51-38-34(22-52-37(33)38)58-42(48)26-12-18-30(32(20-26)50-4)56-40(46)24-9-15-28(16-10-24)54-36(44)6-2/h5-20,33-34,37-38H,1-2,21-22H2,3-4H3/t33-,34-,37-,38-/m1/s1 RCXJSWHFNRJVJP-MYZQXJPJSA-N Organic compounds Phenylpropanoids and polyketides Depsides and depsidones Depsides and depsidones Acrylic acid esters Alkyl aryl ethers Anisoles Benzoic acid esters Benzoyl derivatives Carbonyl compounds Dialkyl ethers Enoate esters Hexacarboxylic acids and derivatives Hydrocarbon derivatives Isosorbides M-methoxybenzoic acids and derivatives Methoxybenzenes Organic oxides Oxacyclic compounds Phenol esters Phenoxy compounds Tetrahydrofurans Acrylic acid ester Acrylic acid or derivatives Alkyl aryl ether Alpha,beta-unsaturated carboxylic ester Anisole Aromatic heteropolycyclic compound Benzenoid Benzoate ester Benzoic acid or derivatives Benzoyl Carbonyl group Carboxylic acid derivative Carboxylic acid ester Depside backbone Dialkyl ether Enoate ester Ether Furofuran Hexacarboxylic acid or derivatives Hydrocarbon derivative Isosorbide M-methoxybenzoic acid or derivatives Methoxybenzene Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol ester Phenol ether Phenoxy compound Tetrahydrofuran Aromatic heteropolycyclic compounds Detected and Not Quantified logp 6.3 logp 4.86 ALOGPS logs -6.24 ALOGPS solubility 4.52e-04 g/l ALOGPS logp 7.79 ChemAxon pka_strongest_basic -3.8 ChemAxon iupac (3R,3aR,6R,6aR)-6-{3-methoxy-4-[4-(prop-2-enoyloxy)benzoyloxy]benzoyloxy}-hexahydrofuro[3,2-b]furan-3-yl 3-methoxy-4-[4-(prop-2-enoyloxy)benzoyloxy]benzoate ChemAxon average_mass 794.718 ChemAxon mono_mass 794.184685015 ChemAxon smiles [H][C@]1(CO[C@]2([H])[C@@]([H])(CO[C@]12[H])OC(=O)C1=CC(OC)=C(OC(=O)C2=CC=C(OC(=O)C=C)C=C2)C=C1)OC(=O)C1=CC(OC)=C(OC(=O)C2=CC=C(OC(=O)C=C)C=C2)C=C1 ChemAxon formula C42H34O16 ChemAxon inchi InChI=1S/C42H34O16/c1-5-35(43)53-27-13-7-23(8-14-27)39(45)55-29-17-11-25(19-31(29)49-3)41(47)57-33-21-51-38-34(22-52-37(33)38)58-42(48)26-12-18-30(32(20-26)50-4)56-40(46)24-9-15-28(16-10-24)54-36(44)6-2/h5-20,33-34,37-38H,1-2,21-22H2,3-4H3/t33-,34-,37-,38-/m1/s1 ChemAxon inchikey RCXJSWHFNRJVJP-MYZQXJPJSA-N ChemAxon polar_surface_area 194.72 ChemAxon refractivity 199.12 ChemAxon polarizability 81.42 ChemAxon rotatable_bond_count 20 ChemAxon acceptor_count 10 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72778b0010> 66690863 29273420