Chem
J-GLOBAL ID：200907007597445606   Nikkaji number：J2.501.669F

2-[(R)-4-Acetoxy-2-[(S)-1-(2-acetoxyethyl)-2-(4-methoxyphenyl)-2-methylpropoxy]-4-pentenyl]-6-methoxybenzoic acid methyl ester

2-[(R)-4-アセトキシ-2-[(S)-1-(2-アセトキシエチル)-2-(4-メトキシフェニル)-2-メチルプロポキシ]-4-ペンテニル]-6-メトキシ安息香酸メチル
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： C31H40O9
Molecular formula furigana： C31-H40-O9
Molecular weight： 556.652
InChI： InChI=1S/C31H40O9/c1-20(39-22(3)33)18-26(19-23-10-9-11-27(36-7)29(23)30(34)37-8)40-28(16-17-38-21(2)32)31(4,5)24-12-14-25(35-6)15-13-24/h9-15,26,28H,1,16-19H2,2-8H3/t26-,28-/m0/s1
InChI key： POASGGABZXIUBF-XCZPVHLTSA-N
SMILES： COC(=O)c1c(C[C@H](CC(=C)OC(=O)C)O[C@@H](CCOC(=O)C)C(C)(C)c2ccc(OC)cc2)cccc1OC
Systematic name  (3)：
  • 2-[(R)-4-アセトキシ-2-[(S)-1-(2-アセトキシエチル)-2-(4-メトキシフェニル)-2-メチルプロポキシ]-4-ペンテニル]-6-メトキシ安息香酸メチル
  • メチル 2-[(2R)-4-(アセチルオキシ)-2-{[(3S)-1-(アセチルオキシ)-4-(4-メトキシフェニル)-4-メチルペンタン-3-イル]オキシ}ペンタ-4-エン-1-イル]-6-メトキシベンゾアート
  • methyl 2-[(2R)-4-(acetyloxy)-2-{[(3S)-1-(acetyloxy)-4-(4-methoxyphenyl)-4-methylpentan-3-yl]oxy}pent-4-en-1-yl]-6-methoxybenzoate
Other name (1)：
  • 2-[(R)-4-Acetoxy-2-[(S)-1-(2-acetoxyethyl)-2-(4-methoxyphenyl)-2-methylpropoxy]-4-pentenyl]-6-methoxybenzoic acid methyl ester
Thsaurus map：
Thesaurus Map

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