Chem
J-GLOBAL ID:200907003446201939   Nikkaji number:J942.005C

(αR)-α-[[[(2S)-Tetrahydro-2H-pyran]-2β-yl]oxy]benzeneacetic acid (αR)-α-[[[(S)-1-pentyl-2-propynyl]oxy]carbonyl]benzyl ester

(1R)-2-[(3S)-オクタ-1-イン-3-イルオキシ]-2-オキソ-1-フェニルエチル (2R)-2-[(2S)-オキサン-2-イルオキシ]-2-フェニルアセタート
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: C29H34O6
Molecular formula furigana: C29-H34-O6
Molecular weight: 478.585
InChI: InChI=1S/C29H34O6/c1-3-5-8-19-24(4-2)33-28(30)27(23-17-11-7-12-18-23)35-29(31)26(22-15-9-6-10-16-22)34-25-20-13-14-21-32-25/h2,6-7,9-12,15-18,24-27H,3,5,8,13-14,19-21H2,1H3/t24-,25+,26-,27-/m1/s1
InChI key: PPJCOHKRNDMCGR-HVWQDESWSA-N
SMILES: CCCCC[C@H](OC(=O)[C@H](OC(=O)[C@H](O[C@H]1CCCCO1)c1ccccc1)c1ccccc1)C#C
Systematic name  (3):
  • (αR)-α-[[[(2S)-テトラヒドロ-2H-ピラン]-2β-イル]オキシ]ベンゼン酢酸(αR)-α-[[[(S)-1-ペンチル-2-プロピニル]オキシ]カルボニル]ベンジル
  • (1R)-2-[(3S)-オクタ-1-イン-3-イルオキシ]-2-オキソ-1-フェニルエチル (2R)-2-[(2S)-オキサン-2-イルオキシ]-2-フェニルアセタート
  • (1R)-2-[(3S)-oct-1-yn-3-yloxy]-2-oxo-1-phenylethyl (2R)-2-[(2S)-oxan-2-yloxy]-2-phenylacetate
Other name (1):
  • (αR)-α-[[[(2S)-Tetrahydro-2H-pyran]-2β-yl]oxy]benzeneacetic acid (αR)-α-[[[(S)-1-pentyl-2-propynyl]oxy]carbonyl]benzyl ester
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