Chem
J-GLOBAL ID：200907007830565005   Nikkaji number：J2.102.958K

Tabulalide E

タブラリドE
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： C35H44O18
Molecular formula furigana： C35-H44-O18
Molecular weight： 752.719
InChI： InChI=1S/C35H44O18/c1-15(36)49-14-31-20(10-22(40)47-7)29(5)13-32(31,43)34(45,27(29)51-17(3)38)28(52-18(4)39)33(44)21-11-23(41)53-25(19-8-9-48-12-19)30(21,6)24(42)26(35(31,33)46)50-16(2)37/h8-9,12,20-21,24-28,42-46H,10-11,13-14H2,1-7H3/t20-,21?,24+,25+,26+,27-,28-,29+,30-,31+,32+,33+,34-,35+/m0/s1
InChI key： QUIUAWAJVAZIOJ-DLFGDHJCSA-N
SMILES： COC(=O)C[C@H]1[C@@]2(C)C[C@]3(O)[C@](O)([C@H]2OC(=O)C)[C@@H](OC(=O)C)[C@]2(O)C4CC(=O)O[C@H](c5ccoc5)[C@]4(C)[C@H](O)[C@@H](OC(=O)C)[C@@]2(O)[C@]13COC(=O)C
Systematic name  (3)：
  • (4R,4aS,5S,6R,6aS,7S,8S,9R,10S,11S,12S,12aR,13R)-7-(アセトキシメチル)-6,10,12-トリアセトキシ-9,7,11-エタニリリデン-4-(3-フラニル)-5,6a,11,12a,13-ペンタヒドロキシテトラデカヒドロ-4a,9-ジメチル-2-オキソ-2H-シクロオクタ[f][2]ベンゾピラン-8-酢酸メチル
  • メチル 2-[(1S,2S,3R,4S,5S,6R,11R,12S,13S,14S,15R,17R,18S)-3,12,14-トリス(アセチルオキシ)-1-[(アセチルオキシ)メチル]-6-(フラン-3-イル)-2,4,11,13,17-ペンタヒドロキシ-5,15-ジメチル-8-オキソ-7-オキサペンタシクロ[13.2.1.02,11.05,10.013,17]オクタデカン-18-イル]アセタート
  • methyl 2-[(1S,2S,3R,4S,5S,6R,11R,12S,13S,14S,15R,17R,18S)-3,12,14-tris(acetyloxy)-1-[(acetyloxy)methyl]-6-(furan-3-yl)-2,4,11,13,17-pentahydroxy-5,15-dimethyl-8-oxo-7-oxapentacyclo[13.2.1.02,11.05,10.013,17]octadecan-18-yl]acetate
Other name (3)：
  • (4R,4aS,5S,6R,6aS,7S,8S,9R,10S,11S,12S,12aR,13R)-7-(Acetoxymethyl)-6,10,12-triacetoxy-9,7,11-ethanylylidene-4-(3-furanyl)-5,6a,11,12a,13-pentahydroxytetradecahydro-4a,9-dimethyl-2-oxo-2H-cycloocta[f][2]benzopyran-8-acetic acid methyl ester
  • タブラリドE
  • Tabulalide E
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