Chem
J-GLOBAL ID：200907056023695699   Nikkaji number：J2.102.957B

Tabulalide D

タブラリドD
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/c1-15(36)46-14-31-19(10-21(39)44-7)28(4)13-32(31)33(43,27(28)48-17(3)38)26(42)34-20-11-22(40)49-24(18-8-9-45-12-18)29(20,5)25(47-16(2)37)23(41)35(31,34)52-30(6,50-32)51-34/h8-9,12,19-20,23-27,41-43H,10-11,13-14H2,1-7H3
InChI key： XQYBLSBUGMZEFP-UHFFFAOYSA-N
SMILES： COC(=O)CC1C2(C)CC34OC5(C)OC6(C(O)C3(O)C2OC(=O)C)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)-9,13-ジアセトキシ-1-(3-フラニル)-3,4,4a,9,10,11,11a,12,13,13a-デカヒドロ-8,12,16-トリヒドロキシ-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)-9,13-diacetoxy-1-(3-furanyl)-3,4,4a,9,10,11,11a,12,13,13a-decahydro-8,12,16-trihydroxy-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D
  • Tabulalide D
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