Chem
J-GLOBAL ID：200907022746909369   Nikkaji number：J2.102.959I

Tabulalide A

タブラリドA
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： C34H40O17
Molecular formula furigana： C34-H40-O17
Molecular weight： 720.677
InChI： InChI=1S/C34H40O17/c1-14(35)47-24-25(48-15(2)36)34(44)30-13-46-21(39)9-19(30)28(5)12-31(30,41)33(43,26(28)49-16(3)37)27(50-17(4)38)32(34,42)20-10-22(40)51-23(29(20,24)6)18-7-8-45-11-18/h7-8,11,19-20,23-27,41-44H,9-10,12-13H2,1-6H3/t19-,20?,23+,24-,25+,26-,27-,28+,29+,30+,31+,32+,33-,34-/m0/s1
InChI key： FLRDRVHXKFQNNT-BSUHNQEOSA-N
SMILES： CC(=O)O[C@H]1[C@]2(C)C[C@]3(O)[C@@]1(O)[C@@H](OC(=O)C)[C@]1(O)C4CC(=O)O[C@H](c5ccoc5)[C@]4(C)[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@]1(O)[C@]13COC(=O)C[C@@H]21
Systematic name  (3)：
  • (4R,4aR,5R,6R,6aR,7S,8S,9R,10S,11S,12S,12aR,13R)-5,6,10,12-テトラアセトキシ-9,7,11-エタニリリデン-4-(3-フラニル)-6a,11,12a,13-テトラヒドロキシテトラデカヒドロ-7,8-(メチレンオキシカルボニルメチレン)-4a,9-ジメチル-2H-シクロオクタ[f][2]ベンゾピラン-2-オン
  • (1R,2S,7S,8R,9R,10R,11R,12R,17R,18S,19S,20R,22S)-9,10,18-トリス(アセチルオキシ)-12-(フラン-3-イル)-8,17,19,20-テトラヒドロキシ-1,11-ジメチル-4,14-ジオキソ-5,13-ジオキサヘキサシクロ[17.2.1.02,7.07,20.08,17.011,16]ドコサン-22-イル アセタート
  • (1R,2S,7S,8R,9R,10R,11R,12R,17R,18S,19S,20R,22S)-9,10,18-tris(acetyloxy)-12-(furan-3-yl)-8,17,19,20-tetrahydroxy-1,11-dimethyl-4,14-dioxo-5,13-dioxahexacyclo[17.2.1.02,7.07,20.08,17.011,16]docosan-22-yl acetate
Other name (3)：
  • (4R,4aR,5R,6R,6aR,7S,8S,9R,10S,11S,12S,12aR,13R)-5,6,10,12-Tetraacetoxy-9,7,11-ethanylylidene-4-(3-furanyl)-6a,11,12a,13-tetrahydroxytetradecahydro-7,8-(methyleneoxycarbonylmethylene)-4a,9-dimethyl-2H-cycloocta[f][2]benzopyran-2-one
  • タブラリドA
  • Tabulalide A
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