Chem
J-GLOBAL ID：200907077665657313   Nikkaji number：J499.314D

Isoterchebin

イソテルケビン
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： C41H32O26
Molecular formula furigana： C41-H32-O26
Molecular weight： 940.681
InChI： InChI=1S/C41H32O26/c42-16-3-11(4-17(43)26(16)49)34(53)64-32-30-23(10-61-37(56)15-9-22(48)29(52)31-24(15)25-14(38(57)63-30)1-2-40(58,67-31)41(25,59)60)62-39(66-36(55)13-7-20(46)28(51)21(47)8-13)33(32)65-35(54)12-5-18(44)27(50)19(45)6-12/h1,3-9,23,25,30,32-33,39,42-52,58-60H,2,10H2/t23-,25?,30-,32+,33-,39+,40-/m1/s1
InChI key： HKIOMZRTDLGZAG-DOGXAIMBSA-N
SMILES： Oc1cc(cc(O)c1O)C(=O)O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c4O[C@]5(O)CC=C(C(c34)C5(O)O)C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1
Systematic name  (3)：
  • 4-O,6-O-[[(5R)-1,4,5,6-テトラヒドロ-4′,5α,5′,6,6-ペンタヒドロキシ-5,6′-エポキシ-1,1′-ビフェニル]-2,2′-ジイルビス(カルボニル)]-1-O,2-O,3-O-トリガロイル-β-D-グルコピラノース
  • (1R,7R,8S,9R,10S,12R)-1,18,19,23,23-ペンタヒドロキシ-5,15-ジオキソ-8,9-ビス(3,4,5-トリヒドロキシベンゾイルオキシ)-6,11,14,24-テトラオキサペンタシクロ[18.3.1.04,22.07,12.016,21]テトラコサ-3,16,18,20-テトラエン-10-イル 3,4,5-トリヒドロキシベンゾアート
  • (1R,7R,8S,9R,10S,12R)-1,18,19,23,23-pentahydroxy-5,15-dioxo-8,9-bis(3,4,5-trihydroxybenzoyloxy)-6,11,14,24-tetraoxapentacyclo[18.3.1.04,22.07,12.016,21]tetracosa-3,16,18,20-tetraen-10-yl 3,4,5-trihydroxybenzoate
Other name (3)：
  • イソテルケビン
  • Isoterchebin
  • 4-O,6-O-[[(5R)-1,4,5,6-Tetrahydro-4′,5α,5′,6,6-pentahydroxy-5,6′-epoxy-1,1′-biphenyl]-2,2′-diylbis(carbonyl)]-1-O,2-O,3-O-trigalloyl-β-D-glucopyranose
KEGG COMPOUND： C10232
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