Chem
J-GLOBAL ID：200907094301956619   Nikkaji number：J904.075G

Yunnaneic acid G

ユンナネン酸G
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： C36H30O16
Molecular formula furigana： C36-H30-O16
Molecular weight： 718.620
InChI： InChI=1S/C36H30O16/c37-20-5-1-15(9-24(20)41)11-27(33(45)46)51-35(49)19-13-17-4-8-23(40)32(44)30(17)29(18-3-7-22(39)26(43)14-18)31(19)36(50)52-28(34(47)48)12-16-2-6-21(38)25(42)10-16/h1-10,13-14,27-29,31,37-44H,11-12H2,(H,45,46)(H,47,48)/t27-,28-,29-,31-/m1/s1
InChI key： CWAPEEAMMSAHDI-BUVRPPHQSA-N
SMILES： OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)[C@H]1[C@H](c2ccc(O)c(O)c2)c2c(O)c(O)ccc2C=C1C(=O)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O
Systematic name  (3)：
  • α,α′-[[[(1R)-1β-(3,4-ジヒドロキシフェニル)-7,8-ジヒドロキシ-1,2-ジヒドロナフタレン]-2α,3-ジイル]ビス(カルボニルオキシ)]ビス[(αR)-3,4-ジヒドロキシベンゼンプロピオン酸]
  • (2R)-2-[(1R,2S)-3-{[(1R)-1-カルボキシ-2-(3,4-ジヒドロキシフェニル)エトキシ]カルボニル}-1-(3,4-ジヒドロキシフェニル)-7,8-ジヒドロキシ-1,2-ジヒドロナフタレン-2-カルボニルオキシ]-3-(3,4-ジヒドロキシフェニル)プロパン酸
  • (2R)-2-[(1R,2S)-3-{[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl}-1-(3,4-dihydroxyphenyl)-7,8-dihydroxy-1,2-dihydronaphthalene-2-carbonyloxy]-3-(3,4-dihydroxyphenyl)propanoic acid
Other name (3)：
  • ユンナネン酸G
  • Yunnaneic acid G
  • α,α′-[[[(1R)-1β-(3,4-Dihydroxyphenyl)-7,8-dihydroxy-1,2-dihydronaphthalene]-2α,3-diyl]bis(carbonyloxy)]bis[(αR)-3,4-dihydroxybenzenepropionic acid]
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