1.0 2010-04-08 22:15:24 UTC 2019-11-26 03:19:44 UTC FDB020999 Camelliatannin F Constituent of the leaves of Camellia japonica. Camelliatannin F is found in tea and fats and oils. C48H34O26 1026.768 1026.13383126 (8R,9R,13R,14S,15R,27S)-9-(3,4-dihydroxyphenyl)-15-[(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]-5,8,20,21,22,25-hexahydroxy-2,10,16,29-tetraoxaheptacyclo[12.12.3.0^{1,13}.0^{3,12}.0^{6,11}.0^{18,23}.0^{24,27}]nonacosa-3(12),4,6(11),18,20,22,24-heptaene-17,26,28-trione (8R,9R,13R,14S,15R,27S)-9-(3,4-dihydroxyphenyl)-15-[(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]-5,8,20,21,22,25-hexahydroxy-2,10,16,29-tetraoxaheptacyclo[12.12.3.0^{1,13}.0^{3,12}.0^{6,11}.0^{18,23}.0^{24,27}]nonacosa-3(12),4,6(11),18,20,22,24-heptaene-17,26,28-trione 154561-15-6 [H][C@@]12[C@@H]3OC(=O)[C@@]4([H])C(=C(O)C(=O)C14OC1=CC(O)=C4C[C@@H](O)[C@H](OC4=C21)C1=CC(O)=C(O)C=C1)C1=C(C=C(O)C(O)=C1O)C(=O)O[C@H]3[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 InChI=1S/C48H34O26/c49-15-2-1-10(3-17(15)51)38-21(55)4-11-16(50)8-23-27(39(11)70-38)29-41-42(73-46(67)14-7-20(54)33(59)36(62)26(14)28-30(47(68)72-41)48(29,74-23)43(64)37(28)63)40-22(56)9-69-44(65)12-5-18(52)31(57)34(60)24(12)25-13(45(66)71-40)6-19(53)32(58)35(25)61/h1-3,5-8,21-22,29-30,38,40-42,49-63H,4,9H2/t21-,22-,29-,30-,38-,40-,41+,42+,48?/m1/s1 QVQMITBCNKWSNM-UMAPGEFWSA-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 tannins Organic compounds Phenylpropanoids and polyketides Tannins Complex tannins Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 3-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 8-prenylated flavans Alkyl aryl ethers Carboxylic acid esters Catechins Catechols Coumarans Delta valerolactones Enols Gallic acid and derivatives Hydrocarbon derivatives Ketones Organic oxides Oxacyclic compounds Oxanes Polyols Secondary alcohols Tetracarboxylic acids and derivatives 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 3-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 8-prenylated flavan Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzopyran Carbonyl group Carboxylic acid derivative Carboxylic acid ester Catechin Catechol Chromane Complex tannin Coumaran Delta valerolactone Delta_valerolactone Enol Ether Flavan Flavan-3-ol Flavonoid Gallic acid or derivatives Hydrocarbon derivative Hydroxyflavonoid Ketone Lactone Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Polyol Secondary alcohol Tetracarboxylic acid or derivatives logp 3.09 ALOGPS logs -2.59 ALOGPS solubility 2.64e+00 g/l ALOGPS logp 2.09 ChemAxon pka_strongest_acidic 6.68 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac (8R,9R,13R,14S,15R,27S)-9-(3,4-dihydroxyphenyl)-15-[(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]-5,8,20,21,22,25-hexahydroxy-2,10,16,29-tetraoxaheptacyclo[12.12.3.0^{1,13}.0^{3,12}.0^{6,11}.0^{18,23}.0^{24,27}]nonacosa-3(12),4,6(11),18,20,22,24-heptaene-17,26,28-trione ChemAxon average_mass 1026.768 ChemAxon mono_mass 1026.13383126 ChemAxon smiles [H][C@@]12[C@@H]3OC(=O)[C@@]4([H])C(=C(O)C(=O)C14OC1=CC(O)=C4C[C@@H](O)[C@H](OC4=C21)C1=CC(O)=C(O)C=C1)C1=C(C=C(O)C(O)=C1O)C(=O)O[C@H]3[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 ChemAxon formula C48H34O26 ChemAxon inchi InChI=1S/C48H34O26/c49-15-2-1-10(3-17(15)51)38-21(55)4-11-16(50)8-23-27(39(11)70-38)29-41-42(73-46(67)14-7-20(54)33(59)36(62)26(14)28-30(47(68)72-41)48(29,74-23)43(64)37(28)63)40-22(56)9-69-44(65)12-5-18(52)31(57)34(60)24(12)25-13(45(66)71-40)6-19(53)32(58)35(25)61/h1-3,5-8,21-22,29-30,38,40-42,49-63H,4,9H2/t21-,22-,29-,30-,38-,40-,41+,42+,48?/m1/s1 ChemAxon inchikey QVQMITBCNKWSNM-UMAPGEFWSA-N ChemAxon polar_surface_area 444.18 ChemAxon refractivity 239.13 ChemAxon polarizability 92.45 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 22 ChemAxon donor_count 15 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon HMDB41117 #<Reference:0x000055ce3213d7f0> Black tea Type 1 Fats and oils Unknown generic Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442