Chem
J-GLOBAL ID：200907077201120139   Nikkaji number：J2.706.578C

(2R,3S)-2-Hydroxy-2-methyl-3-(butanoyloxy)butanoic acid (1S,2R)-1-methyl-2-hydroxy-2-(7-methoxy-1,3-benzodioxole-5-yl)ethyl ester

(2R,3S)-2-ヒドロキシ-2-メチル-3-(ブタノイルオキシ)ブタン酸(1S,2R)-1-メチル-2-ヒドロキシ-2-(7-メトキシ-1,3-ベンゾジオキソール-5-イル)エチル
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： C20H28O9
Molecular formula furigana： C20-H28-O9
Molecular weight： 412.435
InChI： InChI=1S/C20H28O9/c1-6-7-16(21)29-12(3)20(4,24)19(23)28-11(2)17(22)13-8-14(25-5)18-15(9-13)26-10-27-18/h8-9,11-12,17,22,24H,6-7,10H2,1-5H3/t11-,12-,17-,20+/m0/s1
InChI key： HXVZQJNMVZGEKQ-YRWWLWIFSA-N
SMILES： CCCC(=O)O[C@@H](C)[C@@](C)(O)C(=O)O[C@@H](C)[C@H](O)c1cc2OCOc2c(OC)c1
Systematic name  (3)：
  • (2R,3S)-2-ヒドロキシ-2-メチル-3-(ブタノイルオキシ)ブタン酸(1S,2R)-1-メチル-2-ヒドロキシ-2-(7-メトキシ-1,3-ベンゾジオキソール-5-イル)エチル
  • (1R,2S)-1-ヒドロキシ-1-(7-メトキシ-2H-1,3-ベンゾジオキソール-5-イル)プロパン-2-イル (2R,3S)-3-(ブタノイルオキシ)-2-ヒドロキシ-2-メチルブタノアート
  • (1R,2S)-1-hydroxy-1-(7-methoxy-2H-1,3-benzodioxol-5-yl)propan-2-yl (2R,3S)-3-(butanoyloxy)-2-hydroxy-2-methylbutanoate
Other name (1)：
  • (2R,3S)-2-Hydroxy-2-methyl-3-(butanoyloxy)butanoic acid (1S,2R)-1-methyl-2-hydroxy-2-(7-methoxy-1,3-benzodioxole-5-yl)ethyl ester
Thsaurus map：
Thesaurus Map

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