Chem
J-GLOBAL ID:200907029847906802
Nikkaji number:J1.067.903F
(2S,3S)-2-Hydroxy-2-methyl-3-isobutyl-4-oxo-4-(tert-butylthio)butanoic acid methyl ester
(2S,3S)-2-ヒドロキシ-2-メチル-3-イソブチル-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:
C14 H26 O4 S
Molecular formula furigana:
C14-H26-O4-S
Molecular weight:
290.420
InChI:
InChI=1S/C14H26O4S/c1-9(2)8-10(11(15)19-13(3,4)5)14(6,17)12(16)18-7/h9-10,17H,8H2,1-7H3/t10-,14+/m1/s1
InChI key:
DHXXBFXCKRKLLY-YGRLFVJLSA-N
SMILES:
COC(=O)[C@@](C)(O)[C@H](CC(C)C)C(=O)SC(C)(C)C
Systematic name (3):
(2S,3S)-2-ヒドロキシ-2-メチル-3-イソブチル-4-オキソ-4-(tert-ブチルチオ)ブタン酸メチル
メチル (2S,3S)-3-[(tert-ブチルスルファニル)カルボニル]-2-ヒドロキシ-2,5-ジメチルヘキサノアート
methyl (2S,3S)-3-[(tert-butylsulfanyl)carbonyl]-2-hydroxy-2,5-dimethylhexanoate
Other name (1):
(2S,3S)-2-Hydroxy-2-methyl-3-isobutyl-4-oxo-4-(tert-butylthio)butanoic acid methyl ester
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