1.0 2026-09-22 19:15:54 UTC 2026-09-22 19:15:54 UTC FDB118741 Gomisin A (9R,10S)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-9-ol C23H28O7 416.4642 416.18350325 (9S,10S)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(19),2,4,6,12,14(18)-hexaen-9-ol (9S,10S)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(19),2,4,6,12,14(18)-hexaen-9-ol COC1=C(OC)C(OC)=C2C(C[C@](C)(O)[C@@H](C)CC3=CC4=C(OCO4)C(OC)=C23)=C1 InChI=1S/C23H28O7/c1-12-7-13-8-16-20(30-11-29-16)22(28-6)17(13)18-14(10-23(12,2)24)9-15(25-3)19(26-4)21(18)27-5/h8-9,12,24H,7,10-11H2,1-6H3/t12-,23-/m0/s1 ZWRRJEICIPUPHZ-MYODQAERSA-N belongs to the class of organic compounds known as hydrolyzable tannins. These are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) that are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit. Hydrolyzable tannins Organic compounds Phenylpropanoids and polyketides Tannins Hydrolyzable tannins Aromatic heteropolycyclic compounds Acetals Alkyl aryl ethers Anisoles Benzodioxoles Dibenzocyclooctadiene lignans Hydrocarbon derivatives Oxacyclic compounds Tertiary alcohols Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzodioxole Dibenzocyclooctane lignan Ether Hydrocarbon derivative Hydrolyzable tannin Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Tertiary alcohol logp 3.37 ALOGPS logs -4.21 ALOGPS solubility 2.60e-02 g/l ALOGPS logp 3.32 ChemAxon pka_strongest_acidic 14.64 ChemAxon pka_strongest_basic -3 ChemAxon iupac (9S,10S)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(19),2,4,6,12,14(18)-hexaen-9-ol ChemAxon average_mass 416.4642 ChemAxon mono_mass 416.18350325 ChemAxon smiles COC1=C(OC)C(OC)=C2C(C[C@](C)(O)[C@@H](C)CC3=CC4=C(OCO4)C(OC)=C23)=C1 ChemAxon formula C23H28O7 ChemAxon inchi InChI=1S/C23H28O7/c1-12-7-13-8-16-20(30-11-29-16)22(28-6)17(13)18-14(10-23(12,2)24)9-15(25-3)19(26-4)21(18)27-5/h8-9,12,24H,7,10-11H2,1-6H3/t12-,23-/m0/s1 ChemAxon inchikey ZWRRJEICIPUPHZ-MYODQAERSA-N ChemAxon polar_surface_area 75.61 ChemAxon refractivity 111.08 ChemAxon polarizability 44.19 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 7 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1258138 Specdb::MsMs 1258139 Specdb::MsMs 1258140 Specdb::MsMs 1373293 Specdb::MsMs 1373294 Specdb::MsMs 1373295