Chem
J-GLOBAL ID：200907042029449060   Nikkaji number：J1.647.959D

(S)-α-Methoxy-α-(trifluoromethyl)benzeneacetic acid (S)-1-vinyl-6-[(4S)-2,2-dimethyl-5α-heptyl-1,3-dioxolane-4β-yl]-2,4-hexadiyne-1-yl ester

(S)-α-メトキシ-α-(トリフルオロメチル)ベンゼン酢酸(S)-1-ビニル-6-[(4S)-2,2-ジメチル-5α-ヘプチル-1,3-ジオキソラン-4β-イル]-2,4-ヘキサジイン-1-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： C30H37F3O5
Molecular formula furigana： C30-H37-F3-O5
Molecular weight： 534.616
InChI： InChI=1S/C30H37F3O5/c1-6-8-9-10-16-21-25-26(38-28(3,4)37-25)22-17-12-15-20-24(7-2)36-27(34)29(35-5,30(31,32)33)23-18-13-11-14-19-23/h7,11,13-14,18-19,24-26H,2,6,8-10,16,21-22H2,1,3-5H3/t24-,25-,26-,29-/m0/s1
InChI key： GNDMZNLCCISIRW-VZTVMPNDSA-N
SMILES： CCCCCCC[C@@H]1OC(C)(C)O[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(S)-1-ビニル-6-[(4S)-2,2-ジメチル-5α-ヘプチル-1,3-ジオキソラン-4β-イル]-2,4-ヘキサジイン-1-イル
  • (3S)-8-[(4S,5S)-5-ヘプチル-2,2-ジメチル-1,3-ジオキソラン-4-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
  • (3S)-8-[(4S,5S)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-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 (S)-1-vinyl-6-[(4S)-2,2-dimethyl-5α-heptyl-1,3-dioxolane-4β-yl]-2,4-hexadiyne-1-yl ester
Thsaurus map：
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