Chem
J-GLOBAL ID：200907015829865073
Nikkaji number：J1.935.841K
1,2-Di-O-galloyl-4,6-O-(S)-hexahydroxydiphenoyl-β-D-glucopyranose
1,2-ジ-O-ガロイル-4,6-O-(S)-ヘキサヒドロキシジフェノイル-β-D-グルコピラノース
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C34H26O22
Molecular formula furigana： C34-H26-O22
Molecular weight： 786.560
InChI：
InChI=1S/C34H26O22/c35-12-1-8(2-13(36)21(12)41)30(48)55-29-27(47)28-18(53-34(29)56-31(49)9-3-14(37)22(42)15(38)4-9)7-52-32(50)10-5-16(39)23(43)25(45)19(10)20-11(33(51)54-28)6-17(40)24(44)26(20)46/h1-6,18,27-29,34-47H,7H2/t18-,27+,28-,29-,34+/m1/s1
InChI key：
OEAQELZCLQUGBM-BPBQHLHPSA-N
SMILES：
O[C@@H]1[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3c3c(O)c(O)c(O)cc3C(=O)O[C@@H]12
Systematic name (2)：
- 1-O,2-O-ビス(3,4,5-トリヒドロキシベンゾイル)-4-O,6-O-[[(aS)-2,2′,3,3′,4,4′-ヘキサヒドロキシビフェニル-6,6′-ジイル]ビスカルボニル]-β-D-グルコピラノース
- 1-O,2-O-ジガロイル-4-O,6-O-[[(aS)-4,4′,5,5′,6,6′-ヘキサヒドロキシビフェニル-2,2′-ジイル]ビスカルボニル]-β-D-グルコピラノース
- 1-O,2-O-Bis(3,4,5-trihydroxybenzoyl)-4-O,6-O-[[(aS)-2,2′,3,3′,4,4′-hexahydroxybiphenyl-6,6′-diyl]biscarbonyl]-β-D-glucopyranose
- 1,2-ジ-O-ガロイル-4,6-O-(S)-ヘキサヒドロキシジフェノイル-β-D-グルコピラノース
- 1,2-Di-O-galloyl-4,6-O-(S)-hexahydroxydiphenoyl-β-D-glucopyranose
- 1-O,2-O-Digalloyl-4-O,6-O-[[(aS)-4,4′,5,5′,6,6′-hexahydroxybiphenyl-2,2′-diyl]biscarbonyl]-β-D-glucopyranose
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