Chem
J-GLOBAL ID：200907049250760620   Nikkaji number：J904.076E

Yunnaneic acid H

ユンナネン酸H
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： C36H26O16
Molecular formula furigana： C36-H26-O16
Molecular weight： 714.588
InChI： InChI=1S/C36H26O16/c37-19-4-1-14(7-22(19)40)9-27(33(44)45)51-35(48)18-11-16-3-6-21(39)32-29(16)30(17-12-24(42)25(43)13-26(17)50-32)31(18)36(49)52-28(34(46)47)10-15-2-5-20(38)23(41)8-15/h1-8,11-13,27-28,37-43H,9-10H2,(H,44,45)(H,46,47)/t27-,28-/m1/s1
InChI key： CMUFBMKEQWQWFP-VSGBNLITSA-N
SMILES： OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)c1cc2ccc(O)c3Oc4cc(O)c(O)cc4c(c1C(=O)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O)c23
Systematic name  (3)：
  • α,α′-[6,9,10-トリヒドロキシベンゾ[kl]キサンテン-1,2-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-(16-{[(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}-4,5,10-トリヒドロキシ-8-オキサテトラシクロ[7.7.1.02,7.013,17]ヘプタデカ-1(17),2,4,6,9,11,13,15-オクタエン-15-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-(16-{[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl}-4,5,10-trihydroxy-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene-15-carbonyloxy)-3-(3,4-dihydroxyphenyl)propanoic acid
Other name (3)：
  • ユンナネン酸H
  • Yunnaneic acid H
  • α,α′-[6,9,10-Trihydroxybenzo[kl]xanthene-1,2-diylbis(carbonyloxy)]bis[(αR)-3,4-dihydroxybenzenepropionic acid]
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