1.0 2010-04-08 22:12:25 UTC 2019-11-26 03:13:11 UTC FDB016403 Salvianolic acid L Constituent of Salvia officinalis (sage). Salvianolic acid L is found in tea, herbs and spices, and common sage. (-)-Salvianolic acid L C36H30O16 718.6138 718.153384912 2-(3-{[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl}-2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-1,2-dihydronaphthalene-1-carbonyloxy)-3-(3,4-dihydroxyphenyl)propanoic acid 2-(3-{[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl}-2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-1,2-dihydronaphthalene-1-carbonyloxy)-3-(3,4-dihydroxyphenyl)propanoic acid 328-39-2 OC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)C1C(C2=CC(O)=C(O)C=C2)C(=CC2=C1C(O)=C(O)C=C2)C(=O)OC(CC1=CC(O)=C(O)C=C1)C(O)=O InChI=1S/C36H30O16/c37-20-5-1-15(9-24(20)41)11-27(33(45)46)51-35(49)19-13-17-4-8-23(40)32(44)30(17)31(29(19)18-3-7-22(39)26(43)14-18)36(50)52-28(34(47)48)12-16-2-6-21(38)25(42)10-16/h1-10,13-14,27-29,31,37-44H,11-12H2,(H,45,46)(H,47,48) CLZDRNKNWXDFQT-UHFFFAOYSA-N belongs to the class of organic compounds known as phenylnaphthalenes. Phenylnaphthalenes are compounds containing a phenylnaphthalene skeleton, which consists of a naphthalene bound to a phenyl group. Phenylnaphthalenes Organic compounds Benzenoids Naphthalenes Phenylnaphthalenes Aromatic homopolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Benzene and substituted derivatives Carbonyl compounds Carboxylic acids Catechols Enoate esters Hydrocarbon derivatives Naphthalenecarboxylic acids Organic oxides Phenylpropanoic acids Tetracarboxylic acids and derivatives 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 1-naphthalenecarboxylic acid or derivatives 2-naphthalenecarboxylic acid 2-naphthalenecarboxylic acid or derivatives 3-phenylpropanoic-acid Alpha,beta-unsaturated carboxylic ester Aromatic homopolycyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Catechol Enoate ester Hydrocarbon derivative Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol Phenylnaphthalene Tetracarboxylic acid or derivatives logp 3.61 ALOGPS logs -3.87 ALOGPS solubility 9.67e-02 g/l ALOGPS logp 4.73 ChemAxon pka_strongest_acidic 2.69 ChemAxon pka_strongest_basic -6.3 ChemAxon iupac 2-(3-{[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl}-2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-1,2-dihydronaphthalene-1-carbonyloxy)-3-(3,4-dihydroxyphenyl)propanoic acid ChemAxon average_mass 718.6138 ChemAxon mono_mass 718.153384912 ChemAxon smiles OC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)C1C(C2=CC(O)=C(O)C=C2)C(=CC2=C1C(O)=C(O)C=C2)C(=O)OC(CC1=CC(O)=C(O)C=C1)C(O)=O ChemAxon formula C36H30O16 ChemAxon inchi InChI=1S/C36H30O16/c37-20-5-1-15(9-24(20)41)11-27(33(45)46)51-35(49)19-13-17-4-8-23(40)32(44)30(17)31(29(19)18-3-7-22(39)26(43)14-18)36(50)52-28(34(47)48)12-16-2-6-21(38)25(42)10-16/h1-10,13-14,27-29,31,37-44H,11-12H2,(H,45,46)(H,47,48) ChemAxon inchikey CLZDRNKNWXDFQT-UHFFFAOYSA-N ChemAxon polar_surface_area 289.04 ChemAxon refractivity 177.32 ChemAxon polarizability 67.27 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 14 ChemAxon donor_count 10 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 10073 Specdb::MsMs 10074 Specdb::MsMs 10075 Specdb::MsMs 16745 Specdb::MsMs 16746 Specdb::MsMs 16747 Specdb::MsMs 2683962 Specdb::MsMs 2683963 Specdb::MsMs 2683964 Specdb::MsMs 3022248 Specdb::MsMs 3022249 Specdb::MsMs 3022250 Specdb::CMs 61957 Specdb::CMs 759151 Specdb::CMs 759152 Specdb::CMs 759153 Specdb::CMs 759154 Specdb::CMs 759155 Specdb::CMs 759156 Specdb::CMs 759157 Specdb::CMs 759158 Specdb::CMs 759159 Specdb::CMs 759160 Specdb::CMs 759161 Specdb::CMs 759162 Specdb::CMs 759163 Specdb::CMs 759164 Specdb::CMs 759165 Specdb::CMs 759166 Specdb::CMs 759167 Specdb::CMs 759168 Specdb::CMs 759169 Specdb::CMs 759170 Specdb::CMs 759171 Specdb::CMs 759172 Specdb::CMs 759173 Specdb::CMs 759174 HMDB37370 #<Reference:0x000055ce31c9cb60> Black tea Type 1 Common sage Type 1 specific Salvia officinalis 38868 Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442