1.02010-04-08 22:15:39 UTC2019-11-26 03:20:17 UTCFDB021366Camelliatannin DConstituent of the leaves of Camellia japonica. Camelliatannin D is found in tea and fats and oils.C83H62O501859.35041858.230883084(10R,11S,12R,15R)-3,4,5,13,21,22,23-heptahydroxy-8,18-dioxo-11-(3,4,5-trihydroxybenzoyloxy)-9,14,17-trioxatetracyclo[17.4.0.0^{2,7}.0^{10,15}]tricosa-1(23),2,4,6,19,21-hexaen-12-yl 2-{[(10S,11R)-10-[(R)-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-6-yl](hydroxy)methyl]-11-[(10R,11R)-3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.0^{2,7}]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]-3,4,16,17,18-pentahydroxy-8,13-dioxo-9,12-dioxatricyclo[12.4.0.0^{2,7}]octadeca-1(18),2,4,6,14,16-hexaen-5-yl]oxy}-3,4,5-trihydroxybenzoate(10R,11S,12R,15R)-3,4,5,13,21,22,23-heptahydroxy-8,18-dioxo-11-(3,4,5-trihydroxybenzoyloxy)-9,14,17-trioxatetracyclo[17.4.0.0^{2,7}.0^{10,15}]tricosa-1(23),2,4,6,19,21-hexaen-12-yl 2-{[(10S,11R)-10-[(R)-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-6-yl](hydroxy)methyl]-11-[(10R,11R)-3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.0^{2,7}]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]-3,4,16,17,18-pentahydroxy-8,13-dioxo-9,12-dioxatricyclo[12.4.0.0^{2,7}]octadeca-1(18),2,4,6,14,16-hexaen-5-yl]oxy}-3,4,5-trihydroxybenzoate148159-87-9O[C@@H]([C@@H]1OC(=O)C2=CC(OC3=C(C=C(O)C(O)=C3O)C(=O)O[C@H]3C(O)O[C@@H]4COC(=O)C5=C(C(O)=C(O)C(O)=C5)C5=C(O)C(O)=C(O)C=C5C(=O)O[C@H]4[C@@H]3OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O)C(O)=C2C2=C(C=C(O)C(O)=C2O)C(=O)O[C@H]1[C@@H]1OC(=O)C2=CC(O)=C(O)C(O)=C2C2=C(C=C(O)C(O)=C2O)C(=O)OC[C@H]1O)C1=C(O)C2=C(O[C@@H]([C@H](O)C2)C2=CC=C(O)C(O)=C2)C=C1OInChI=1S/C83H62O50/c84-27-2-1-17(3-28(27)85)67-38(95)6-19-40(125-67)14-29(86)49(50(19)97)65(112)71-72(69-39(96)15-123-76(115)20-7-32(89)52(99)59(106)43(20)45-22(78(117)128-69)9-34(91)54(101)61(45)108)132-80(119)24-11-36(93)56(103)63(110)47(24)48-25(81(120)130-71)13-41(58(105)64(48)111)126-68-26(12-37(94)57(104)66(68)113)82(121)133-74-73(131-75(114)18-4-30(87)51(98)31(88)5-18)70-42(127-83(74)122)16-124-77(116)21-8-33(90)53(100)60(107)44(21)46-23(79(118)129-70)10-35(92)55(102)62(46)109/h1-5,7-14,38-39,42,65,67,69-74,83-113,122H,6,15-16H2/t38-,39-,42-,65-,67-,69-,70-,71+,72+,73+,74-,83?/m1/s1HQDHUGSORVCVJK-MZLSEXLYSA-N belongs to the class of organic compounds known as complex tannins. These are tannins made of a catechin bound to a gallotannin or elagitannin.Complex tanninsOrganic compoundsPhenylpropanoids and polyketidesTanninsComplex tanninsAromatic heteropolycyclic compounds1-benzopyrans1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids3'-hydroxyflavonoids3-hydroxyflavonoids4'-hydroxyflavonoids5-hydroxyflavonoids7-hydroxyflavonoidsAlkyl aryl ethersAromatic alcoholsBenzoyl derivativesCarboxylic acid estersCatechinsCatecholsDiarylethersGalloyl estersHemiacetalsHydrocarbon derivativesLactonesMonosaccharidesOrganic oxidesOxacyclic compoundsOxanesPhenol ethersPhenoxy compoundsPolyolsPyrogallols and derivativesSecondary alcoholsm-Hydroxybenzoic acid estersp-Hydroxybenzoic acid alkyl esters1-benzopyran1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoid3'-hydroxyflavonoid3-hydroxyflavonoid4'-hydroxyflavonoid5-hydroxyflavonoid7-hydroxyflavonoidAlcoholAlkyl aryl etherAromatic alcoholAromatic heteropolycyclic compoundBenzenetriolBenzenoidBenzoate esterBenzoic acid or derivativesBenzopyranBenzoylCarboxylic acid derivativeCarboxylic acid esterCatechinCatecholChromaneComplex tanninDiaryl etherDihydroxybenzoic acidEtherFlavanFlavan-3-olGallic acid or derivativesGalloyl esterHemiacetalHydrocarbon derivativeHydroxyflavonoidLactoneM-hydroxybenzoic acid esterMonocyclic benzene moietyMonosaccharideOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacycleOxaneP-hydroxybenzoic acid alkyl esterP-hydroxybenzoic acid esterPhenolPhenol etherPhenoxy compoundPolyolPyrogallol derivativeSecondary alcohollogp3.88logs-2.83solubility2.74e+00 g/llogp5.27pka_strongest_acidic6.55pka_strongest_basic-5.9iupac(10R,11S,12R,15R)-3,4,5,13,21,22,23-heptahydroxy-8,18-dioxo-11-(3,4,5-trihydroxybenzoyloxy)-9,14,17-trioxatetracyclo[17.4.0.0^{2,7}.0^{10,15}]tricosa-1(23),2,4,6,19,21-hexaen-12-yl 2-{[(10S,11R)-10-[(R)-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-6-yl](hydroxy)methyl]-11-[(10R,11R)-3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.0^{2,7}]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]-3,4,16,17,18-pentahydroxy-8,13-dioxo-9,12-dioxatricyclo[12.4.0.0^{2,7}]octadeca-1(18),2,4,6,14,16-hexaen-5-yl]oxy}-3,4,5-trihydroxybenzoateaverage_mass1859.3504mono_mass1858.230883084smilesO[C@@H]([C@@H]1OC(=O)C2=CC(OC3=C(C=C(O)C(O)=C3O)C(=O)O[C@H]3C(O)O[C@@H]4COC(=O)C5=C(C(O)=C(O)C(O)=C5)C5=C(O)C(O)=C(O)C=C5C(=O)O[C@H]4[C@@H]3OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O)C(O)=C2C2=C(C=C(O)C(O)=C2O)C(=O)O[C@H]1[C@@H]1OC(=O)C2=CC(O)=C(O)C(O)=C2C2=C(C=C(O)C(O)=C2O)C(=O)OC[C@H]1O)C1=C(O)C2=C(O[C@@H]([C@H](O)C2)C2=CC=C(O)C(O)=C2)C=C1OformulaC83H62O50inchiInChI=1S/C83H62O50/c84-27-2-1-17(3-28(27)85)67-38(95)6-19-40(125-67)14-29(86)49(50(19)97)65(112)71-72(69-39(96)15-123-76(115)20-7-32(89)52(99)59(106)43(20)45-22(78(117)128-69)9-34(91)54(101)61(45)108)132-80(119)24-11-36(93)56(103)63(110)47(24)48-25(81(120)130-71)13-41(58(105)64(48)111)126-68-26(12-37(94)57(104)66(68)113)82(121)133-74-73(131-75(114)18-4-30(87)51(98)31(88)5-18)70-42(127-83(74)122)16-124-77(116)21-8-33(90)53(100)60(107)44(21)46-23(79(118)129-70)10-35(92)55(102)62(46)109/h1-5,7-14,38-39,42,65,67,69-74,83-113,122H,6,15-16H2/t38-,39-,42-,65-,67-,69-,70-,71+,72+,73+,74-,83?/m1/s1inchikeyHQDHUGSORVCVJK-MZLSEXLYSA-Npolar_surface_area865.22refractivity428.11polarizability166.73rotatable_bond_count12acceptor_count41donor_count31physiological_charge-2formal_charge0HMDB41420#<Reference:0x0000555675cdc780>Black teaType 1Fats and oilsUnknowngenericGreen teaType 1Herbal teaType 1Red teaType 1TeaType 1specificCamellia sinensis4442