1.0 2010-04-08 22:09:34 UTC 2025-11-18 23:26:10 UTC FDB011306 8-Acetoxypinoresinol 4-glucoside Constituent of bark of Olea europaea (olive). 8-Acetoxypinoresinol 4-glucoside is found in pomes. 8-Acetoxypinoresinol 4-glucoside 8-Acetoxypinoresinol 4-O-b-D-glucopyranoside C28H34O13 578.5618 578.199941174 1-(4-hydroxy-3-methoxyphenyl)-4-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-hexahydrofuro[3,4-c]furan-3a-yl acetate 1-(4-hydroxy-3-methoxyphenyl)-4-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-tetrahydro-1H-furo[3,4-c]furan-3a-yl acetate 81426-14-4 COC1=C(O)C=CC(=C1)C1OCC2(OC(C)=O)C1COC2C1=CC(OC)=C(OC2OC(CO)C(O)C(O)C2O)C=C1 InChI=1S/C28H34O13/c1-13(30)41-28-12-38-25(14-4-6-17(31)19(8-14)35-2)16(28)11-37-26(28)15-5-7-18(20(9-15)36-3)39-27-24(34)23(33)22(32)21(10-29)40-27/h4-9,16,21-27,29,31-34H,10-12H2,1-3H3 ARPKCZZZMDEOIF-UHFFFAOYSA-N belongs to the class of organic compounds known as furanoid lignans. These are lignans with a structure that contains either a tetrahydrofuran ring, a furan ring, or a furofuan ring system, that arises from the joining of the two phenylpropanoid units. Furanoid lignans Organic compounds Lignans, neolignans and related compounds Furanoid lignans Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Carbonyl compounds Carboxylic acid esters Dialkyl ethers Furofuran lignans Furofurans Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Phenoxy compounds Tetrahydrofurans 1-hydroxy-2-unsubstituted benzenoid Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Ether Furanoid lignan Furofuran Furofuran lignan skeleton Hydrocarbon derivative Methoxybenzene Methoxyphenol Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Phenol ether Phenoxy compound Tetrahydrofuran logp 1.22 ALOGPS logs -3.11 ALOGPS solubility 4.46e-01 g/l ALOGPS melting_point Mp 183.5-185° logp -0.099 ChemAxon pka_strongest_acidic 9.91 ChemAxon pka_strongest_basic -3 ChemAxon iupac 1-(4-hydroxy-3-methoxyphenyl)-4-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-hexahydrofuro[3,4-c]furan-3a-yl acetate ChemAxon average_mass 578.5618 ChemAxon mono_mass 578.199941174 ChemAxon smiles COC1=C(O)C=CC(=C1)C1OCC2(OC(C)=O)C1COC2C1=CC(OC)=C(OC2OC(CO)C(O)C(O)C2O)C=C1 ChemAxon formula C28H34O13 ChemAxon inchi InChI=1S/C28H34O13/c1-13(30)41-28-12-38-25(14-4-6-17(31)19(8-14)35-2)16(28)11-37-26(28)15-5-7-18(20(9-15)36-3)39-27-24(34)23(33)22(32)21(10-29)40-27/h4-9,16,21-27,29,31-34H,10-12H2,1-3H3 ChemAxon inchikey ARPKCZZZMDEOIF-UHFFFAOYSA-N ChemAxon polar_surface_area 182.83 ChemAxon refractivity 137.28 ChemAxon polarizability 58.19 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 12 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 102795 Specdb::MsMs 102796 Specdb::MsMs 102797 Specdb::MsMs 168678 Specdb::MsMs 168679 Specdb::MsMs 168680 Specdb::MsMs 2349176 Specdb::MsMs 2349177 Specdb::MsMs 2349178 Specdb::MsMs 2586931 Specdb::MsMs 2586932 Specdb::MsMs 2586933 Specdb::CMs 24638 Specdb::CMs 43198 Specdb::CMs 282507 Specdb::CMs 389389 Specdb::CMs 389390 Specdb::CMs 389391 Specdb::CMs 389392 Specdb::CMs 389393 Specdb::CMs 389394 Specdb::CMs 389395 Specdb::CMs 389396 Specdb::CMs 389397 Specdb::CMs 389398 Specdb::CMs 389399 Specdb::CMs 389400 Specdb::CMs 389401 Specdb::CMs 389402 Specdb::CMs 389403 Specdb::CMs 389404 Specdb::CMs 389405 Specdb::CMs 389406 Specdb::CMs 389407 Specdb::CMs 389408 Specdb::CMs 389409 Specdb::CMs 389410 Specdb::NmrOneD 119178 Specdb::NmrOneD 119179 Specdb::NmrOneD 119180 Specdb::NmrOneD 119181 Specdb::NmrOneD 119182 Specdb::NmrOneD 119183 Specdb::NmrOneD 119184 Specdb::NmrOneD 119185 Specdb::NmrOneD 119186 Specdb::NmrOneD 119187 Specdb::NmrOneD 119188 Specdb::NmrOneD 119189 Specdb::NmrOneD 119190 Specdb::NmrOneD 119191 Specdb::NmrOneD 119192 Specdb::NmrOneD 119193 Specdb::NmrOneD 119194 Specdb::NmrOneD 119195 Specdb::NmrOneD 119196 Specdb::NmrOneD 119197 HMDB33283 #<Reference:0x000055ce330ed510> Pomes Unknown generic