Chem
J-GLOBAL ID:201207007720618605   Nikkaji number:J3.102.767E

2-O,3-O:4-O,6-O-Bis[(4,4′,5,5′,6,6′-hexahydroxybiphenyl-2,2′-diyl)biscarbonyl]-5-O-(3,4,5-trihydroxybenzoyl)-D-glucitol

2-O,3-O:4-O,6-O-ビス[(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]-5-O-(3,4,5-トリヒドロキシベンゾイル)-D-グルシトール
Substance type:
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
Molecular formula: C41H30O26
Molecular formula furigana: C41-H30-O26
Molecular weight: 938.665
InChI: InChI=1S/C41H30O26/c42-7-20-35(66-40(61)13-6-19(48)30(53)34(57)25(13)23-11(39(60)64-20)4-17(46)28(51)32(23)55)36-21(65-37(58)9-1-14(43)26(49)15(44)2-9)8-63-38(59)10-3-16(45)27(50)31(54)22(10)24-12(41(62)67-36)5-18(47)29(52)33(24)56/h1-6,20-21,35-36,42-57H,7-8H2/t20-,21?,35+,36+/m0/s1
InChI key: BOTWALOJKZTBLZ-KORFCWOFSA-N
SMILES: OC[C@@H]1OC(=O)c2cc(O)c(O)c(O)c2c2c(O)c(O)c(O)cc2C(=O)O[C@H]1[C@@H]1OC(=O)c2cc(O)c(O)c(O)c2c2c(O)c(O)c(O)cc2C(=O)OCC1OC(=O)c1cc(O)c(O)c(O)c1
Systematic name  (3):
  • 2-O,3-O:4-O,6-O-ビス[(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]-5-O-(3,4,5-トリヒドロキシベンゾイル)-D-グルシトール
  • (10R,11R)-10-[(10R,11S)-3,4,5,16,17,18-ヘキサヒドロキシ-11-(ヒドロキシメチル)-8,13-ジオキソ-9,12-ジオキサトリシクロ[12.4.0.02,7]オクタデカ-1(18),2,4,6,14,16-ヘキサエン-10-イル]-3,4,5,17,18,19-ヘキサヒドロキシ-8,14-ジオキソ-9,13-ジオキサトリシクロ[13.4.0.02,7]ノナデカ-1(19),2,4,6,15,17-ヘキサエン-11-イル 3,4,5-トリヒドロキシベンゾアート
  • (10R,11R)-10-[(10R,11S)-3,4,5,16,17,18-hexahydroxy-11-(hydroxymethyl)-8,13-dioxo-9,12-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaen-10-yl]-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-11-yl 3,4,5-trihydroxybenzoate
Other name (1):
  • 2-O,3-O:4-O,6-O-Bis[(4,4′,5,5′,6,6′-hexahydroxybiphenyl-2,2′-diyl)biscarbonyl]-5-O-(3,4,5-trihydroxybenzoyl)-D-glucitol
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