Chem
J-GLOBAL ID：201507009388407218   Nikkaji number：J3.400.220G

3-Oxo-3-[(1S)-2β-methyl-1,2,4aα,5,6,7,8,8aβ-octahydronaphthalene-1β-yl]propanethioic acid S-tert-butyl ester

3-オキソ-3-[(1S)-2β-メチル-1,2,4aα,5,6,7,8,8aβ-オクタヒドロナフタレン-1β-イル]プロパンチオ酸S-tert-ブチル
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： C18H28O2S
Molecular formula furigana： C18-H28-O2-S
Molecular weight： 308.480
InChI： InChI=1S/C18H28O2S/c1-12-9-10-13-7-5-6-8-14(13)17(12)15(19)11-16(20)21-18(2,3)4/h9-10,12-14,17H,5-8,11H2,1-4H3/t12-,13+,14-,17-/m0/s1
InChI key： ZIMFENRRHSSRRS-LOUJCGABSA-N
SMILES： C[C@H]1C=C[C@H]2CCCC[C@@H]2[C@H]1C(=O)CC(=O)SC(C)(C)C
Systematic name  (3)：
  • 3-オキソ-3-[(1S)-2β-メチル-1,2,4aα,5,6,7,8,8aβ-オクタヒドロナフタレン-1β-イル]プロパンチオ酸S-tert-ブチル
  • 1-[(1S,2S,4aR,8aS)-2-メチル-1,2,4a,5,6,7,8,8a-オクタヒドロナフタレン-1-イル]-3-(tert-ブチルスルファニル)プロパン-1,3-ジオン
  • 1-[(1S,2S,4aR,8aS)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-3-(tert-butylsulfanyl)propane-1,3-dione
Other name (1)：
  • 3-Oxo-3-[(1S)-2β-methyl-1,2,4aα,5,6,7,8,8aβ-octahydronaphthalene-1β-yl]propanethioic acid S-tert-butyl ester
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