Chem
J-GLOBAL ID:200907051683806769   Nikkaji number:J2.506.579D

2′-[4-(Diethylamino)phenyl]-5′,7′-dioxo-4′,8′a-dimethyl-1′,6′-dioxaspiro[adamantane-2,8′(8′aH)-s-indacene]

2′-[4-(ジエチルアミノ)フェニル]-5′,7′-ジオキソ-4′,8′a-ジメチル-1′,6′-ジオキサスピロ[アダマンタン-2,8′(8′aH)-s-インダセン]
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: C31H35NO4
Molecular formula furigana: C31-H35-N-O4
Molecular weight: 485.624
InChI: InChI=1S/C31H35NO4/c1-5-32(6-2)23-9-7-20(8-10-23)25-16-24-17(3)26-27(29(34)35-28(26)33)31(30(24,4)36-25)21-12-18-11-19(14-21)15-22(31)13-18/h7-10,16,18-19,21-22H,5-6,11-15H2,1-4H3/t18-,19+,21-,22+,30?,31?
InChI key: UNFHFQBZKRNBEY-ZZKFRWFPSA-N
SMILES: CCN(CC)c1ccc(cc1)C1=CC2=C(C)C3=C(C(=O)OC3=O)C3([C@H]4C[C@@H]5C[C@@H](C[C@H]3C5)C4)C2(C)O1
Systematic name  (3):
  • 2′-[4-(ジエチルアミノ)フェニル]-5′,7′-ジオキソ-4′,8′a-ジメチル-1′,6′-ジオキサスピロ[アダマンタン-2,8′(8′aH)-s-インダセン]
  • (1r,3r,5r,7r)-5'-[4-(ジエチルアミノ)フェニル]-3',8'-ジメチル-4',11'-ジオキサスピロ[アダマンタン-2,2'-トリシクロ[7.3.0.03,7]ドデカン]-1'(9'),5',7'-トリエン-10',12'-ジオン
  • (1r,3r,5r,7r)-5'-[4-(diethylamino)phenyl]-3',8'-dimethyl-4',11'-dioxaspiro[adamantane-2,2'-tricyclo[7.3.0.03,7]dodecane]-1'(9'),5',7'-triene-10',12'-dione
Other name (1):
  • 2′-[4-(Diethylamino)phenyl]-5′,7′-dioxo-4′,8′a-dimethyl-1′,6′-dioxaspiro[adamantane-2,8′(8′aH)-s-indacene]
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