Chem
J-GLOBAL ID:200907003049518128   Nikkaji number:J1.204.557C

(10aβ,10bα)-Decahydro-6aβ-chloro-7β,8β-bis(benzoyloxy)oxazolo[4,3-a]isoquinoline-3-one

(10aβ,10bα)-デカヒドロ-6aβ-クロロ-7β,8β-ビス(ベンゾイルオキシ)オキサゾロ[4,3-a]イソキノリン-3-オン
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: C25H24ClNO6
Molecular formula furigana: C25-H24-CL-N-O6
Molecular weight: 469.920
InChI: InChI=1S/C25H24ClNO6/c26-25-13-14-27-19(15-31-24(27)30)18(25)11-12-20(32-22(28)16-7-3-1-4-8-16)21(25)33-23(29)17-9-5-2-6-10-17/h1-10,18-21H,11-15H2/t18-,19-,20+,21+,25-/m1/s1
InChI key: KPKSTSCGHVSCSH-RPMNLZPZSA-N
SMILES: Cl[C@]12CCN3[C@H](COC3=O)[C@H]1CC[C@H](OC(=O)c1ccccc1)[C@@H]2OC(=O)c1ccccc1
Systematic name  (4):
  • (10aβ,10bα)-デカヒドロ-6aβ-クロロ-7β,8β-ビス(ベンゾイルオキシ)オキサゾロ[4,3-a]イソキノリン-3-オン
  • (6aR,10aβ,10bα)-6aβ-クロロ-7β,8β-ビス(ベンゾイルオキシ)デカヒドロオキサゾロ[4,3-a]イソキノリン-3-オン
  • (6aR,7S,8S,10aR,10bS)-7-(ベンゾイルオキシ)-6a-クロロ-3-オキソ-デカヒドロ-1H-[1,3]オキサゾロ[4,3-a]イソキノリン-8-イル ベンゾアート
  • (6aR,7S,8S,10aR,10bS)-7-(benzoyloxy)-6a-chloro-3-oxo-decahydro-1H-[1,3]oxazolo[4,3-a]isoquinolin-8-yl benzoate
Other name (2):
  • (10aβ,10bα)-Decahydro-6aβ-chloro-7β,8β-bis(benzoyloxy)oxazolo[4,3-a]isoquinoline-3-one
  • (6aR,10aβ,10bα)-6aβ-Chloro-7β,8β-bis(benzoyloxy)decahydrooxazolo[4,3-a]isoquinoline-3-one
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