Chem
J-GLOBAL ID：200907012066529736   Nikkaji number：J1.686.594J

3-Methyl-5-hydroxy-7-[[(2S)-2-methoxy-2-phenyl-3,3,3-trifluoropropanoyl]oxy]naphtho[2,3-c]furan-4(1H)-one

(S)-α-メトキシ-α-(トリフルオロメチル)ベンゼン酢酸(1-メチル-8-ヒドロキシ-3,9-ジヒドロ-9-オキソナフト[2,3-c]フラン)-6-イル
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： C23H17F3O6
Molecular formula furigana： C23-H17-F3-O6
Molecular weight： 446.378
InChI： InChI=1S/C23H17F3O6/c1-12-18-14(11-31-12)8-13-9-16(10-17(27)19(13)20(18)28)32-21(29)22(30-2,23(24,25)26)15-6-4-3-5-7-15/h3-10,27H,11H2,1-2H3/t22-/m0/s1
InChI key： CMTYYQATQBMVFV-QFIPXVFZSA-N
SMILES： CO[C@](C(=O)Oc1cc(O)c2C(=O)C3=C(C)OCC3=Cc2c1)(c1ccccc1)C(F)(F)F
Systematic name  (4)：
  • (S)-α-メトキシ-α-(トリフルオロメチル)ベンゼン酢酸(1-メチル-8-ヒドロキシ-3,9-ジヒドロ-9-オキソナフト[2,3-c]フラン)-6-イル
  • 3-メチル-5-ヒドロキシ-7-[[(2S)-2-メトキシ-2-フェニル-3,3,3-トリフルオロプロパノイル]オキシ]ナフト[2,3-c]フラン-4(1H)-オン
  • 8-ヒドロキシ-1-メチル-9-オキソ-3H,9H-ナフト[2,3-c]フラン-6-イル (2S)-3,3,3-トリフルオロ-2-メトキシ-2-フェニルプロパノアート
  • 8-hydroxy-1-methyl-9-oxo-3H,9H-naphtho[2,3-c]furan-6-yl (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
Other name (2)：
  • (S)-α-Methoxy-α-(trifluoromethyl)benzeneacetic acid (1-methyl-8-hydroxy-3,9-dihydro-9-oxonaphtho[2,3-c]furan)-6-yl ester
  • 3-Methyl-5-hydroxy-7-[[(2S)-2-methoxy-2-phenyl-3,3,3-trifluoropropanoyl]oxy]naphtho[2,3-c]furan-4(1H)-one
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