Chem
J-GLOBAL ID：200907083884423131   Nikkaji number：J739.930H

Caesaldekarin A

ケサルデカリンA
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： C22H32O4
Molecular formula furigana： C22-H32-O4
Molecular weight： 360.494
InChI： InChI=1S/C22H32O4/c1-13-15-7-10-25-18(15)12-17-16(13)11-19(26-14(2)23)22(24)20(3,4)8-6-9-21(17,22)5/h7,10,13,16-17,19,24H,6,8-9,11-12H2,1-5H3/t13-,16-,17-,19+,21+,22+/m0/s1
InChI key： ALHFWFVPZTXDOE-WKPPJLGDSA-N
SMILES： C[C@@H]1[C@@H]2C[C@@H](OC(=O)C)[C@@]3(O)C(C)(C)CCC[C@]3(C)[C@H]2Cc2occc12
Systematic name  (3)：
  • (5R)-1,2,3,4,4a,5,6,6aα,7,11,11aβ,11b-ドデカヒドロ-5α-アセトキシ-4,4,7β,11bα-テトラメチルフェナントロ[3,2-b]フラン-4aβ-オール
  • (4aR,5R,6aS,7R,11aS,11bR)-4a-ヒドロキシ-4,4,7,11b-テトラメチル-1H,2H,3H,4H,4aH,5H,6H,6aH,7H,11H,11aH,11bH-フェナントロ[3,2-b]フラン-5-イル アセタート
  • (4aR,5R,6aS,7R,11aS,11bR)-4a-hydroxy-4,4,7,11b-tetramethyl-1H,2H,3H,4H,4aH,5H,6H,6aH,7H,11H,11aH,11bH-phenanthro[3,2-b]furan-5-yl acetate
Other name (5)：
  • カエサルデカリンa
  • Caesaldekarin a
  • (5R)-1,2,3,4,4a,5,6,6aα,7,11,11aβ,11b-Dodecahydro-5α-acetoxy-4,4,7β,11bα-tetramethylphenanthro[3,2-b]furan-4aβ-ol
  • ケサルデカリンA
  • Caesaldekarin A
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