Chem
J-GLOBAL ID:200907042002581897   Nikkaji number:J1.677.187B

Orbiculin F

オルビクリンF
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: C34H36O11
Molecular formula furigana: C34-H36-O11
Molecular weight: 620.651
InChI: InChI=1S/C34H36O11/c1-19-17-25(42-30(37)23-13-9-15-39-23)28(41-20(2)35)33(5)26(43-29(36)21-11-7-6-8-12-21)18-22-27(34(19,33)45-32(22,3)4)44-31(38)24-14-10-16-40-24/h6-16,19,22,25-28H,17-18H2,1-5H3/t19-,22-,25+,26+,27-,28+,33-,34-/m1/s1
InChI key: WTXHOBPQVWOYDA-LEOXFKOJSA-N
SMILES: C[C@@H]1C[C@H](OC(=O)c2ccco2)[C@H](OC(=O)C)[C@@]2(C)[C@H](C[C@@H]3[C@@H](OC(=O)c4ccco4)[C@]12OC3(C)C)OC(=O)c1ccccc1
Systematic name  (3):
  • ビス(2-フランカルボン酸)(1R)-5β-アセトキシ-4α-(ベンゾイルオキシ)-4aβ,8β,10,10-テトラメチル-8aα,2α-(エポキシメタノ)デカリン-1α,6β-ジイル
  • (1S,2R,4S,5R,6R,7S,9R,12R)-5-(アセチルオキシ)-7-(ベンゾイルオキシ)-12-(フラン-2-カルボニルオキシ)-2,6,10,10-テトラメチル-11-オキサトリシクロ[7.2.1.01,6]ドデカン-4-イル フラン-2-カルボキシラート
  • (1S,2R,4S,5R,6R,7S,9R,12R)-5-(acetyloxy)-7-(benzoyloxy)-12-(furan-2-carbonyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-4-yl furan-2-carboxylate
Other name (3):
  • Bis(2-furancarboxylic acid)(1R)-5β-acetoxy-4α-(benzoyloxy)-4aβ,8β,10,10-tetramethyl-8aα,2α-(epoxymethano)decalin-1α,6β-diyl ester
  • オルビクリンF
  • Orbiculin F
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