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| CAS No.: | 18483-17-5 |
| Molecular Formula | C₂₇H₂₄O₁₈ |
| Molecular Weight | 636.5g/mol |
| Purity | HPLC>98% |
| Chemical Family | Polyphenols; Tannins |
IUPAC Name: [(2R,3R,4S,5R,6S)-3,5-dihydroxy-4,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
InChI: InChI=1S/C27H24O18/c28-11-1-8(2-12(29)18(11)34)24(39)42-7-17-21(37)23(44-25(40)9-3-13(30)19(35)14(31)4-9)22(38)27(43-17)45-26(41)10-5-15(32)20(36)16(33)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22-,23+,27+/m1/s1
InChIKey: RNKMOGIPOMVCHO-SJMVAQJGSA-N
Canonical SMILES: C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O
Isomeric SMILES: C1=C(C=C(C(=C1O)O)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O
Synonyms: 18483-17-5; 1,3,6-tri-O-galloyl-beta-D-glucose; 1,3,6-Tri-O-galloyl-b-D-glucose; 1,3,6-tri-o-galloylglucose; 1,3,6-Trigalloylglucose; 1,3,6-Tri-O-galloyl-b-D-glucopyranose; UNII-O8718334XJ; O8718334XJ; …
Botanical Source: Phyllanthus emblica L.
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