Chem
J-GLOBAL ID：200907051832104470   Nikkaji number：J756.218G

[(1,3-Dioxo-2-phenyl-2,3,3aβ,4,9,9aβ-hexahydro-4α,9α-epoxy-1H-benz[f]isoindol)-4-yl]phosphonic acid dimethyl ester

[(1,3-ジオキソ-2-フェニル-2,3,3aβ,4,9,9aβ-ヘキサヒドロ-4α,9α-エポキシ-1H-ベンゾ[f]イソインドール)-4-イル]ホスホン酸ジメチル
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： C20H18NO6P
Molecular formula furigana： C20-H18-N-O6-P
Molecular weight： 399.339
InChI： InChI=1S/C20H18NO6P/c1-25-28(24,26-2)20-14-11-7-6-10-13(14)17(27-20)15-16(20)19(23)21(18(15)22)12-8-4-3-5-9-12/h3-11,15-17H,1-2H3/t15-,16-,17+,20+/m1/s1
InChI key： WHZSVIOLHKMCSZ-WWNBULGVSA-N
SMILES： COP(=O)(OC)[C@]12O[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)c1ccccc1)c1ccccc21
Systematic name  (3)：
  • [(1,3-ジオキソ-2-フェニル-2,3,3aβ,4,9,9aβ-ヘキサヒドロ-4α,9α-エポキシ-1H-ベンゾ[f]イソインドール)-4-イル]ホスホン酸ジメチル
  • ジメチル [(1R,8R,9R,13R)-10,12-ジオキソ-11-フェニル-14-オキサ-11-アザテトラシクロ[6.5.1.02,7.09,13]テトラデカ-2,4,6-トリエン-1-イル]ホスホナート
  • dimethyl [(1R,8R,9R,13R)-10,12-dioxo-11-phenyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-trien-1-yl]phosphonate
Other name (1)：
  • [(1,3-Dioxo-2-phenyl-2,3,3aβ,4,9,9aβ-hexahydro-4α,9α-epoxy-1H-benz[f]isoindol)-4-yl]phosphonic acid dimethyl ester
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