Chem
J-GLOBAL ID：200907067867032670   Nikkaji number：J1.511.786I

Pivalic acid [1-[(S)-α-methylbenzyl]-3,3aβ,6,6aβ-tetrahydro-4α-methyl-6-oxo-1H,4H-furo[3,4-c]isoxazole-3α-yl]methyl ester

ピバル酸[1-[(S)-α-メチルベンジル]-3,3aβ,6,6aβ-テトラヒドロ-4α-メチル-6-オキソ-1H,4H-フロ[3,4-c]イソオキサゾール-3α-イル]メチル
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： C20H27NO5
Molecular formula furigana： C20-H27-N-O5
Molecular weight： 361.438
InChI： InChI=1S/C20H27NO5/c1-12(14-9-7-6-8-10-14)21-17-16(13(2)25-18(17)22)15(26-21)11-24-19(23)20(3,4)5/h6-10,12-13,15-17H,11H2,1-5H3/t12-,13-,15+,16-,17+/m0/s1
InChI key： HXXJHXXSSYJVQV-LZDOMEQBSA-N
SMILES： C[C@H](N1O[C@H](COC(=O)C(C)(C)C)[C@@H]2[C@H](C)OC(=O)[C@H]12)c1ccccc1
Systematic name  (3)：
  • ピバル酸[1-[(S)-α-メチルベンジル]-3,3aβ,6,6aβ-テトラヒドロ-4α-メチル-6-オキソ-1H,4H-フロ[3,4-c]イソオキサゾール-3α-イル]メチル
  • [(3S,3aS,4S,6aR)-4-メチル-6-オキソ-1-[(1S)-1-フェニルエチル]-ヘキサヒドロフロ[3,4-c][1,2]オキサゾール-3-イル]メチル 2,2-ジメチルプロパノアート
  • [(3S,3aS,4S,6aR)-4-methyl-6-oxo-1-[(1S)-1-phenylethyl]-hexahydrofuro[3,4-c][1,2]oxazol-3-yl]methyl 2,2-dimethylpropanoate
Other name (1)：
  • Pivalic acid [1-[(S)-α-methylbenzyl]-3,3aβ,6,6aβ-tetrahydro-4α-methyl-6-oxo-1H,4H-furo[3,4-c]isoxazole-3α-yl]methyl ester
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