Chem
J-GLOBAL ID：200907066137216753   Nikkaji number：J1.249.450E

Asperparaline B

アスペルパラリンB
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： C19H27N3O3
Molecular formula furigana： C19-H27-N3-O3
Molecular weight： 345.443
InChI： InChI=1S/C19H27N3O3/c1-11-5-6-22-10-18-9-17(8-13(23)20-14(17)24)16(2,3)12(18)7-19(11,22)15(25)21(18)4/h11-12H,5-10H2,1-4H3,(H,20,23,24)/t11-,12-,17-,18+,19+/m0/s1
InChI key： LXDQBSJJUVATBH-IAEISPRFSA-N
SMILES： C[C@H]1CCN2C[C@]34C[C@]5(CC(=O)NC5=O)C(C)(C)[C@@H]3C[C@]12C(=O)N4C
Systematic name  (3)：
  • (1S,7S,8aβ)-1β,8,8,11-テトラメチル-5aβ,9aβ-(エピミノメタノ)オクタヒドロスピロ[1H-シクロペンタ[f]インドリジン-7(6H),3′-ピロリジン]-2′,5′,10-トリオン
  • (1'R,3S,3'S,7'S,12'S)-4',4',12',14'-テトラメチル-9',14'-ジアザスピロ[ピロリジン-3,5'-テトラシクロ[5.5.2.01,9.03,7]テトラデカン]-2,5,13'-トリオン
  • (1'R,3S,3'S,7'S,12'S)-4',4',12',14'-tetramethyl-9',14'-diazaspiro[pyrrolidine-3,5'-tetracyclo[5.5.2.01,9.03,7]tetradecane]-2,5,13'-trione
Other name (3)：
  • (1S,7S,8aβ)-1β,8,8,11-Tetramethyl-5aβ,9aβ-(epiminomethano)octahydrospiro[1H-cyclopenta[f]indolizine-7(6H),3′-pyrrolidine]-2′,5′,10-trione
  • アスペルパラリンB
  • Asperparaline B
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