Chem
J-GLOBAL ID：200907075264930111   Nikkaji number：J2.102.956D

Tabulalide C

タブラリドC
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： C33H40O16
Molecular formula furigana： C33-H40-O16
Molecular weight： 692.667
InChI： InChI=1S/C33H40O16/c1-14(34)44-13-29-17(9-19(36)42-6)26(3)12-30(29)31(41,24(26)39)25(40)32-18-10-20(37)46-22(16-7-8-43-11-16)27(18,4)23(45-15(2)35)21(38)33(29,32)49-28(5,47-30)48-32/h7-8,11,17-18,21-25,38-41H,9-10,12-13H2,1-6H3
InChI key： LHVAUJXSTGBWKE-UHFFFAOYSA-N
SMILES： COC(=O)CC1C2(C)CC34OC5(C)OC6(C(O)C3(O)C2O)C2CC(=O)OC(c3ccoc3)C2(C)C(OC(=O)C)C(O)C6(O5)C14COC(=O)C
Systematic name  (1)：
  • (1R,4aR,4bR,6S,7aR,8S,9S,10R,11S,11aR,11bS,12R,13R,13aR,16R)-11a-(アセトキシメチル)-13-アセトキシ-1-(3-フラニル)-3,4,4a,9,10,11,11a,12,13,13a-デカヒドロ-8,9,12,16-テトラヒドロキシ-6,10,13a-トリメチル-3-オキソ-8H-6,11b-エポキシ-4b,8:7a,10-ジメタノ-1H-2-ベンゾピラノ[5,6-d][1,3]ベンゾジオキセピン-11-酢酸メチル
Other name (3)：
  • (1R,4aR,4bR,6S,7aR,8S,9S,10R,11S,11aR,11bS,12R,13R,13aR,16R)-11a-(Acetoxymethyl)-13-acetoxy-1-(3-furanyl)-3,4,4a,9,10,11,11a,12,13,13a-decahydro-8,9,12,16-tetrahydroxy-6,10,13a-trimethyl-3-oxo-8H-6,11b-epoxy-4b,8:7a,10-dimethano-1H-2-benzopyrano[5,6-d][1,3]benzodioxepin-11-acetic acid methyl ester
  • タブラリドC
  • Tabulalide C
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