Chem
J-GLOBAL ID：200907040087445544   Nikkaji number：J2.102.955F

Tabulalin

タブラリン
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： C29H36O13
Molecular formula furigana： C29-H36-O13
Molecular weight： 592.594
InChI： InChI=1S/C29H36O13/c1-13(30)41-22-23(2)12-27(36)25(4,15(23)8-18(32)39-5)26(35)10-17(31)24(3)16(28(26,37)21(34)29(22,27)38)9-19(33)42-20(24)14-6-7-40-11-14/h6-7,9,11,15,17,20-22,31,34-38H,8,10,12H2,1-5H3/t15-,17-,20+,21-,22-,23+,24-,25-,26-,27+,28+,29-/m0/s1
InChI key： NJDSYFZABUKFPR-JUBSPGHASA-N
SMILES： COC(=O)C[C@H]1[C@@]2(C)C[C@]3(O)[C@@](O)([C@H]2OC(=O)C)[C@@H](O)[C@]2(O)C4=CC(=O)O[C@H](c5ccoc5)[C@]4(C)[C@@H](O)C[C@]2(O)[C@]13C
Systematic name  (3)：
  • (4R,4aS,5S,6aS,7S,8S,9R,10S,11S,12S,12aR,13R)-10-アセトキシ-9,7,11-エタニリリデン-4-(3-フラニル)-5,6a,11,12,12a,13-ヘキサヒドロキシ-4,4a,5,6,6a,7,8,9,10,11,12,12a-ドデカヒドロ-4a,7,9-トリメチル-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,4S,5S,6R,11R,12S,13S,14S,15R,17R,18S)-14-(アセチルオキシ)-6-(フラン-3-イル)-2,4,11,12,13,17-ヘキサヒドロキシ-1,5,15-トリメチル-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-9-エン-18-イル]アセタート
  • methyl 2-[(1S,2S,4S,5S,6R,11R,12S,13S,14S,15R,17R,18S)-14-(acetyloxy)-6-(furan-3-yl)-2,4,11,12,13,17-hexahydroxy-1,5,15-trimethyl-8-oxo-7-oxapentacyclo[13.2.1.02,11.05,10.013,17]octadec-9-en-18-yl]acetate
Other name (3)：
  • (4R,4aS,5S,6aS,7S,8S,9R,10S,11S,12S,12aR,13R)-10-Acetoxy-9,7,11-ethanylylidene-4-(3-furanyl)-5,6a,11,12,12a,13-hexahydroxy-4,4a,5,6,6a,7,8,9,10,11,12,12a-dodecahydro-4a,7,9-trimethyl-2-oxo-2H-cycloocta[f][2]benzopyran-8-acetic acid methyl ester
  • タブラリン
  • Tabulalin
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM