Chem
J-GLOBAL ID：200907016157289261   Nikkaji number：J739.933B

Caesaldekarin e

カエサルデカリン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： C24H30O6
Molecular formula furigana： C24-H30-O6
Molecular weight： 414.498
InChI： InChI=1S/C24H30O6/c1-13-16-7-9-24(27)22(4,5)20(29-14(2)25)12-21(30-15(3)26)23(24,6)18(16)11-19-17(13)8-10-28-19/h8,10-11,20-21,27H,7,9,12H2,1-6H3/t20-,21+,23+,24-/m1/s1
InChI key： VVJWDPJDEOTQOZ-AWAHEQQVSA-N
SMILES： CC(=O)O[C@@H]1C[C@H](OC(=O)C)[C@]2(C)c3cc4occc4c(C)c3CC[C@@]2(O)C1(C)C
Systematic name  (3)：
  • (1S)-1,2,3,4,4a,5,6,11b-オクタヒドロ-1β,3β-ジアセトキシ-4,4,7,11bα-テトラメチルフェナントロ[3,2-b]フラン-4aβ-オール
  • (1S,3R,4aR,11bS)-3-(アセチルオキシ)-4a-ヒドロキシ-4,4,7,11b-テトラメチル-1H,2H,3H,4H,4aH,5H,6H,11bH-フェナントロ[3,2-b]フラン-1-イル アセタート
  • (1S,3R,4aR,11bS)-3-(acetyloxy)-4a-hydroxy-4,4,7,11b-tetramethyl-1H,2H,3H,4H,4aH,5H,6H,11bH-phenanthro[3,2-b]furan-1-yl acetate
Other name (3)：
  • カエサルデカリンe
  • Caesaldekarin e
  • (1S)-1,2,3,4,4a,5,6,11b-Octahydro-1β,3β-diacetoxy-4,4,7,11bα-tetramethylphenanthro[3,2-b]furan-4aβ-ol
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