Chem
J-GLOBAL ID：200907037277441846   Nikkaji number：J2.102.960B

Tabulalide B

タブラリドB
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： C35H42O17
Molecular formula furigana： C35-H42-O17
Molecular weight： 734.704
InChI： InChI=1S/C35H42O17/c1-7-21(39)52-28-33(43)20-11-23(41)51-24(18-8-9-46-12-18)30(20,6)25(48-15(2)36)26(49-16(3)37)35(33,45)31-14-47-22(40)10-19(31)29(5)13-32(31,42)34(28,44)27(29)50-17(4)38/h8-9,12,19-20,24-28,42-45H,7,10-11,13-14H2,1-6H3/t19-,20?,24+,25-,26+,27-,28-,29+,30+,31+,32+,33+,34-,35-/m0/s1
InChI key： YYKJWXQRSPYWMW-VRFYIESLSA-N
SMILES： CCC(=O)O[C@@H]1[C@@]2(O)[C@@H](OC(=O)C)[C@]3(C)C[C@@]2(O)[C@]2(COC(=O)C[C@@H]32)[C@@]2(O)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@@]3(C)[C@H](OC(=O)CC3[C@@]12O)c1ccoc1
Systematic name  (3)：
  • (4R,4aR,5R,6R,6aR,7S,8S,9R,10S,11S,12S,12aR,13R)-5,6,10-トリアセトキシ-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-12-(プロパノイルオキシ)-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)-9,10,22-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-18-イル プロパノアート
  • (1R,2S,7S,8R,9R,10R,11R,12R,17R,18S,19S,20R,22S)-9,10,22-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-18-yl propanoate
Other name (3)：
  • (4R,4aR,5R,6R,6aR,7S,8S,9R,10S,11S,12S,12aR,13R)-5,6,10-Triacetoxy-9,7,11-ethanylylidene-4-(3-furanyl)-6a,11,12a,13-tetrahydroxytetradecahydro-7,8-(methyleneoxycarbonylmethylene)-4a,9-dimethyl-12-(propanoyloxy)-2H-cycloocta[f][2]benzopyran-2-one
  • タブラリドB
  • Tabulalide B
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