Chem
J-GLOBAL ID：200907099379763797   Nikkaji number：J2.021.884C

(S)-α-Methoxy-α-(trifluoromethyl)benzeneacetic acid (3R,9S,10R)-9,10-epoxy-1-heptadecene-4,6-diyne-3-yl ester

(S)-α-メトキシ-α-(トリフルオロメチル)ベンゼン酢酸(3R,9S,10R)-9,10-エポキシ-1-ヘプタデセン-4,6-ジイン-3-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： C27H31F3O4
Molecular formula furigana： C27-H31-F3-O4
Molecular weight： 476.536
InChI： InChI=1S/C27H31F3O4/c1-4-6-7-8-14-19-23-24(34-23)20-15-10-13-18-22(5-2)33-25(31)26(32-3,27(28,29)30)21-16-11-9-12-17-21/h5,9,11-12,16-17,22-24H,2,4,6-8,14,19-20H2,1,3H3/t22-,23-,24+,26+/m1/s1
InChI key： NMTZKHISDILCCG-BIATYSSJSA-N
SMILES： CCCCCCC[C@H]1O[C@H]1CC#CC#C[C@H](OC(=O)[C@@](OC)(c1ccccc1)C(F)(F)F)C=C
Systematic name  (3)：
  • (S)-α-メトキシ-α-(トリフルオロメチル)ベンゼン酢酸(3R,9S,10R)-9,10-エポキシ-1-ヘプタデセン-4,6-ジイン-3-イル
  • (3R)-8-[(2S,3R)-3-ヘプチルオキシラン-2-イル]オクタ-1-エン-4,6-ジイン-3-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)-8-[(2S,3R)-3-heptyloxiran-2-yl]oct-1-en-4,6-diyn-3-yl (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
Other name (1)：
  • (S)-α-Methoxy-α-(trifluoromethyl)benzeneacetic acid (3R,9S,10R)-9,10-epoxy-1-heptadecene-4,6-diyne-3-yl ester
Thsaurus map：
Thesaurus Map

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