Chem
J-GLOBAL ID:200907084069538397   Nikkaji number:J1.867.306A

(4R)-3-[[(S)-2-Phenyl-2-methoxy-3,3,3-trifluoropropionyl]oxymethyl]-4α-[(S)-3-[[(S)-2-phenyl-2-methoxy-3,3,3-trifluoropropionyl]oxy]butyl]-5,5-dimethyl-2-cyclohexene-1-one

(4R)-3-[[(S)-2-フェニル-2-メトキシ-3,3,3-トリフルオロプロピオニル]オキシメチル]-4α-[(S)-3-[[(S)-2-フェニル-2-メトキシ-3,3,3-トリフルオロプロピオニル]オキシ]ブチル]-5,5-ジメチル-2-シクロヘキセン-1-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: C33H36F6O7
Molecular formula furigana: C33-H36-F6-O7
Molecular weight: 658.634
InChI: InChI=1S/C33H36F6O7/c1-21(46-28(42)31(44-5,33(37,38)39)24-14-10-7-11-15-24)16-17-26-22(18-25(40)19-29(26,2)3)20-45-27(41)30(43-4,32(34,35)36)23-12-8-6-9-13-23/h6-15,18,21,26H,16-17,19-20H2,1-5H3/t21-,26-,30-,31-/m0/s1
InChI key: QRKWTCMGGCYJDS-QYYNDFCZSA-N
SMILES: CO[C@](C(=O)OCC1=CC(=O)CC(C)(C)[C@H]1CC[C@H](C)OC(=O)[C@@](OC)(c1ccccc1)C(F)(F)F)(c1ccccc1)C(F)(F)F
Systematic name  (4):
  • (4R)-3-[[[(S)-2-メトキシ-2-フェニル-3,3,3-トリフルオロプロピオニル]オキシ]メチル]-4α-[(3S)-3-[[(S)-2-メトキシ-2-フェニル-3,3,3-トリフルオロプロピオニル]オキシ]ブチル]-5,5-ジメチル-2-シクロヘキセン-1-オン
  • (4R)-3-[[(S)-2-フェニル-2-メトキシ-3,3,3-トリフルオロプロピオニル]オキシメチル]-4α-[(S)-3-[[(S)-2-フェニル-2-メトキシ-3,3,3-トリフルオロプロピオニル]オキシ]ブチル]-5,5-ジメチル-2-シクロヘキセン-1-オン
  • (2S)-4-[(1R)-6,6-ジメチル-4-オキソ-2-({[(2S)-3,3,3-トリフルオロ-2-メトキシ-2-フェニルプロパノイル]オキシ}メチル)シクロヘキサ-2-エン-1-イル]ブタン-2-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
  • (2S)-4-[(1R)-6,6-dimethyl-4-oxo-2-({[(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]oxy}methyl)cyclohex-2-en-1-yl]butan-2-yl (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
Other name (2):
  • (4R)-3-[[[(S)-2-Methoxy-2-phenyl-3,3,3-trifluoropropionyl]oxy]methyl]-4α-[(3S)-3-[[(S)-2-methoxy-2-phenyl-3,3,3-trifluoropropionyl]oxy]butyl]-5,5-dimethyl-2-cyclohexene-1-one
  • (4R)-3-[[(S)-2-Phenyl-2-methoxy-3,3,3-trifluoropropionyl]oxymethyl]-4α-[(S)-3-[[(S)-2-phenyl-2-methoxy-3,3,3-trifluoropropionyl]oxy]butyl]-5,5-dimethyl-2-cyclohexene-1-one
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