Chem
J-GLOBAL ID：200907077618474006
Nikkaji number：J2.192.767H
(1R,2S,6R)-2-Hydroxy-2-[3-(pivaloyloxy)propyl]-7-oxabicyclo[4.1.0]hepta-4-ene-3-one
ピバル酸3-[(1R,6R)-2α-ヒドロキシ-3-オキソ-7-オキサビシクロ[4.1.0]ヘプタ-4-エン-2-イル]プロピル
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
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
Molecular formula： C14H20O5
Molecular formula furigana： C14-H20-O5
Molecular weight： 268.309
InChI：
InChI=1S/C14H20O5/c1-13(2,3)12(16)18-8-4-7-14(17)10(15)6-5-9-11(14)19-9/h5-6,9,11,17H,4,7-8H2,1-3H3/t9-,11-,14-/m1/s1
InChI key：
DROQOBIXRRJSAH-GLXFQSAKSA-N
SMILES：
CC(C)(C)C(=O)OCCC[C@]1(O)[C@@H]2O[C@@H]2C=CC1=O
Systematic name (5)：
- ピバル酸3-[(1R,6R)-2α-ヒドロキシ-3-オキソ-7-オキサビシクロ[4.1.0]ヘプタ-4-エン-2-イル]プロピル
- (1R,2S,6R)-2-ヒドロキシ-2-[3-(ピバロイルオキシ)プロピル]-7-オキサビシクロ[4.1.0]ヘプタ-4-エン-3-オン
- (1R,5S,6R)-5-ヒドロキシ-5-[3-(ピバロイルオキシ)プロピル]-7-オキサビシクロ[4.1.0]ヘプタ-2-エン-4-オン
- 3-[(1R,2S,6R)-2-ヒドロキシ-3-オキソ-7-オキサビシクロ[4.1.0]ヘプタ-4-エン-2-イル]プロピル 2,2-ジメチルプロパノアート
- 3-[(1R,2S,6R)-2-hydroxy-3-oxo-7-oxabicyclo[4.1.0]hept-4-en-2-yl]propyl 2,2-dimethylpropanoate
- Pivalic acid 3-[(1R,6R)-2α-hydroxy-3-oxo-7-oxabicyclo[4.1.0]hepta-4-ene-2-yl]propyl ester
- (1R,2S,6R)-2-Hydroxy-2-[3-(pivaloyloxy)propyl]-7-oxabicyclo[4.1.0]hepta-4-ene-3-one
- (1R,5S,6R)-5-Hydroxy-5-[3-(pivaloyloxy)propyl]-7-oxabicyclo[4.1.0]hepta-2-ene-4-one
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