Chem
J-GLOBAL ID：200907064674768310   Nikkaji number：J1.666.142B

(R)-α-Methoxy-α-(trifluoromethyl)benzeneacetic acid (1S,3S)-1-methyl-3-hydroxy-5-(2-methyl-4-oxo-5-hydroxy-7-methoxy-4H-1-benzopyran-6-yl)pentyl ester

(R)-α-メトキシ-α-(トリフルオロメチル)ベンゼン酢酸(1S,3S)-1-メチル-3-ヒドロキシ-5-(2-メチル-4-オキソ-5-ヒドロキシ-7-メトキシ-4H-1-ベンゾピラン-6-イル)ペンチル
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： C27H29F3O8
Molecular formula furigana： C27-H29-F3-O8
Molecular weight： 538.516
InChI： InChI=1S/C27H29F3O8/c1-15(38-25(34)26(36-4,27(28,29)30)17-8-6-5-7-9-17)12-18(31)10-11-19-21(35-3)14-22-23(24(19)33)20(32)13-16(2)37-22/h5-9,13-15,18,31,33H,10-12H2,1-4H3/t15-,18-,26+/m0/s1
InChI key： WEFQPSSXJJALBN-XOETXKDRSA-N
SMILES： COc1cc2oc(C)cc(=O)c2c(O)c1CC[C@H](O)C[C@H](C)OC(=O)[C@](OC)(c1ccccc1)C(F)(F)F
Systematic name  (3)：
  • (R)-α-メトキシ-α-(トリフルオロメチル)ベンゼン酢酸(1S,3S)-1-メチル-3-ヒドロキシ-5-(2-メチル-4-オキソ-5-ヒドロキシ-7-メトキシ-4H-1-ベンゾピラン-6-イル)ペンチル
  • (2S,4S)-4-ヒドロキシ-6-(5-ヒドロキシ-7-メトキシ-2-メチル-4-オキソ-4H-クロメン-6-イル)ヘキサン-2-イル (2R)-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
  • (2S,4S)-4-hydroxy-6-(5-hydroxy-7-methoxy-2-methyl-4-oxo-4H-chromen-6-yl)hexan-2-yl (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
Other name (1)：
  • (R)-α-Methoxy-α-(trifluoromethyl)benzeneacetic acid (1S,3S)-1-methyl-3-hydroxy-5-(2-methyl-4-oxo-5-hydroxy-7-methoxy-4H-1-benzopyran-6-yl)pentyl ester
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