Chem
J-GLOBAL ID:200907073527677499
Nikkaji number:J1.067.915J
(2R,3S)-2-Hydroxy-2-methyl-3-isopropyl-4-oxo-4-(tert-butylthio)butanoic acid methyl ester
(2R,3S)-2-ヒドロキシ-2-メチル-3-イソプロピル-4-オキソ-4-(tert-ブチルチオ)ブタン酸メチル
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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:
C13 H24 O4 S
Molecular formula furigana:
C13-H24-O4-S
Molecular weight:
276.390
InChI:
InChI=1S/C13H24O4S/c1-8(2)9(10(14)18-12(3,4)5)13(6,16)11(15)17-7/h8-9,16H,1-7H3/t9-,13-/m1/s1
InChI key:
AIWRPJDVQLHCNV-NOZJJQNGSA-N
SMILES:
COC(=O)[C@](C)(O)[C@H](C(C)C)C(=O)SC(C)(C)C
Systematic name (3):
(2R,3S)-2-ヒドロキシ-2-メチル-3-イソプロピル-4-オキソ-4-(tert-ブチルチオ)ブタン酸メチル
メチル (2R,3S)-3-[(tert-ブチルスルファニル)カルボニル]-2-ヒドロキシ-2,4-ジメチルペンタノアート
methyl (2R,3S)-3-[(tert-butylsulfanyl)carbonyl]-2-hydroxy-2,4-dimethylpentanoate
Other name (1):
(2R,3S)-2-Hydroxy-2-methyl-3-isopropyl-4-oxo-4-(tert-butylthio)butanoic acid methyl ester
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