Chem
J-GLOBAL ID：200907063617994544   Nikkaji number：J507.221B

Lagerstannin C

ラゲルスタンニンC
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： C27H22O19
Molecular formula furigana： C27-H22-O19
Molecular weight： 650.454
InChI： InChI=1S/C27H22O19/c28-9-1-6(2-10(29)16(9)32)25(41)45-13-5-44-26(42)7-3-11(30)17(33)19(35)14(7)15-8(4-12(31)18(34)20(15)36)27(43)46-23(13)21(37)22(38)24(39)40/h1-4,13,21-23,28-38H,5H2,(H,39,40)/t13?,21-,22-,23-/m1/s1
InChI key： HUVLESMCLUQMJM-ZHZARESFSA-N
SMILES： O[C@H]([C@@H](O)C(=O)O)[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)：
  • 5-O-ガロイル-4-O,6-O-[(4,4′,5,5′,6,6′-ヘキサヒドロキシ-1,1′-ビフェニル-2,2′-ジイル)ジカルボニル]-D-グルコン酸
  • (2R,3R)-3-[(10S,11R)-3,4,5,17,18,19-ヘキサヒドロキシ-8,14-ジオキソ-11-(3,4,5-トリヒドロキシベンゾイルオキシ)-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-10-イル]-2,3-ジヒドロキシプロパン酸
  • (2R,3R)-3-[(10S,11R)-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-11-(3,4,5-trihydroxybenzoyloxy)-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]-2,3-dihydroxypropanoic acid
Other name (3)：
  • ラゲルスタンニンC
  • Lagerstannin C
  • 5-O-Galloyl-4-O,6-O-[(4,4′,5,5′,6,6′-hexahydroxy-1,1′-biphenyl-2,2′-diyl)dicarbonyl]-D-gluconic acid
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