Chem
J-GLOBAL ID:200907048872078072   Nikkaji number:J1.421.863G

(4S,5S)-4-(Ethylthiocarbonyl)-5-hydroxyundecanoic acid ethyl ester

(4S,5S)-4-(エチルチオカルボニル)-5-ヒドロキシウンデカン酸エチル
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: C16H30O4S
Molecular formula furigana: C16-H30-O4-S
Molecular weight: 318.470
InChI: InChI=1S/C16H30O4S/c1-4-7-8-9-10-14(17)13(16(19)21-6-3)11-12-15(18)20-5-2/h13-14,17H,4-12H2,1-3H3/t13-,14-/m0/s1
InChI key: SWYVCQOTTMOBDY-KBPBESRZSA-N
SMILES: CCCCCC[C@H](O)[C@H](CCC(=O)OCC)C(=O)SCC
Systematic name  (3):
  • (4S,5S)-4-(エチルチオカルボニル)-5-ヒドロキシウンデカン酸エチル
  • エチル (4S,5S)-4-[(エチルスルファニル)カルボニル]-5-ヒドロキシウンデカノアート
  • ethyl (4S,5S)-4-[(ethylsulfanyl)carbonyl]-5-hydroxyundecanoate
Other name (1):
  • (4S,5S)-4-(Ethylthiocarbonyl)-5-hydroxyundecanoic acid ethyl ester
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