Chem
J-GLOBAL ID:200907021433309747
Nikkaji number:J1.511.792C
Pivalic acid (1-benzyl-3,3aβ,6,6aβ-tetrahydro-4α-methyl-6-oxo-1H,4H-furo[3,4-c]isoxazole-3β-yl)methyl ester
ピバル酸(1-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-3β-イル)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:
C19 H25 NO5
Molecular formula furigana:
C19-H25-N-O5
Molecular weight:
347.411
InChI:
InChI=1S/C19H25NO5/c1-12-15-14(11-23-18(22)19(2,3)4)25-20(16(15)17(21)24-12)10-13-8-6-5-7-9-13/h5-9,12,14-16H,10-11H2,1-4H3/t12-,14-,15-,16+/m0/s1
InChI key:
ZHMSFGCWRFAWTH-QCEMKRCNSA-N
SMILES:
C[C@@H]1OC(=O)[C@H]2[C@@H]1[C@H](COC(=O)C(C)(C)C)ON2Cc1ccccc1
Systematic name (3):
ピバル酸(1-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-3β-イル)メチル
[(3R,3aS,4S,6aR)-1-ベンジル-4-メチル-6-オキソ-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
[(3R,3aS,4S,6aR)-1-benzyl-4-methyl-6-oxo-hexahydrofuro[3,4-c][1,2]oxazol-3-yl]methyl 2,2-dimethylpropanoate
Other name (1):
Pivalic acid (1-benzyl-3,3aβ,6,6aβ-tetrahydro-4α-methyl-6-oxo-1H,4H-furo[3,4-c]isoxazole-3β-yl)methyl ester
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