Chem
J-GLOBAL ID：200907046864498736   Nikkaji number：J1.069.301B

Pentakis[(S)-α-(trifluoromethyl)-α-methoxybenzeneacetic acid](3R,4R,5R,9R,10R)-3,10-bis[[(S)-α-oxo-β-(trifluoromethyl)-β-methoxyphenethyl]oxy]-6-methylenedodecane-1,4,5,9,12-pentyl ester

ペンタキス[(S)-α-(トリフルオロメチル)-α-メトキシベンゼン酢酸](3R,4R,5R,9R,10R)-3,10-ビス[[(S)-α-オキソ-β-(トリフルオロメチル)-β-メトキシフェネチル]オキシ]-6-メチレンドデカン-1,4,5,9,12-ペンタイル
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： C83H75F21O21
Molecular formula furigana： C83-H75-F21-O21
Molecular weight： 1807.458
InChI： InChI=1S/C83H75F21O21/c1-50(44-45-58(121-65(107)72(114-4,79(90,91)92)53-34-20-11-21-35-53)59(122-66(108)73(115-5,80(93,94)95)54-36-22-12-23-37-54)46-48-119-63(105)70(112-2,77(84,85)86)51-30-16-9-17-31-51)61(124-68(110)75(117-7,82(99,100)101)56-40-26-14-27-41-56)62(125-69(111)76(118-8,83(102,103)104)57-42-28-15-29-43-57)60(123-67(109)74(116-6,81(96,97)98)55-38-24-13-25-39-55)47-49-120-64(106)71(113-3,78(87,88)89)52-32-18-10-19-33-52/h9-43,58-62H,1,44-49H2,2-8H3/t58-,59-,60-,61-,62-,70+,71+,72+,73+,74+,75+,76+/m1/s1
InChI key： RXUXKUFXZCGPER-KRXSSIAASA-N
SMILES： CO[C@](C(=O)OCC[C@@H](OC(=O)[C@@](OC)(c1ccccc1)C(F)(F)F)[C@@H](CCC(=C)[C@@H](OC(=O)[C@@](OC)(c1ccccc1)C(F)(F)F)[C@H](OC(=O)[C@@](OC)(c1ccccc1)C(F)(F)F)[C@@H](CCOC(=O)[C@@](OC)(c1ccccc1)C(F)(F)F)OC(=O)[C@@](OC)(c1ccccc1)C(F)(F)F)OC(=O)[C@@](OC)(c1ccccc1)C(F)(F)F)(c1ccccc1)C(F)(F)F
Systematic name  (3)：
  • ペンタキス[(S)-α-(トリフルオロメチル)-α-メトキシベンゼン酢酸](3R,4R,5R,9R,10R)-3,10-ビス[[(S)-α-オキソ-β-(トリフルオロメチル)-β-メトキシフェネチル]オキシ]-6-メチレンドデカン-1,4,5,9,12-ペンタイル
  • (3R,4R,5R,9R,10R)-6-メチリデン-1,3,4,9,10,12-ヘキサキス({[(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})ドデカン-5-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
  • (3R,4R,5R,9R,10R)-6-methylidene-1,3,4,9,10,12-hexakis({[(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]oxy})dodecan-5-yl (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
Other name (1)：
  • Pentakis[(S)-α-(trifluoromethyl)-α-methoxybenzeneacetic acid](3R,4R,5R,9R,10R)-3,10-bis[[(S)-α-oxo-β-(trifluoromethyl)-β-methoxyphenethyl]oxy]-6-methylenedodecane-1,4,5,9,12-pentyl ester
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