Chem
J-GLOBAL ID：200907001834167260
Nikkaji number：J1.280.895J
(3aS)-4β-Hydroxy-6-(crotonoyloxymethyl)-3aα,4,5,7aα-tetrahydrospiro[1,3-benzodioxole-2,1′-cyclohexane]-5-one
(3aS)-4β-ヒドロキシ-6-(クロトノイルオキシメチル)-3aα,4,5,7aα-テトラヒドロスピロ[1,3-ベンゾジオキソール-2,1′-シクロヘキサン]-5-オン
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： C17H22O6
Molecular formula furigana： C17-H22-O6
Molecular weight： 322.357
InChI：
InChI=1S/C17H22O6/c1-2-6-13(18)21-10-11-9-12-16(15(20)14(11)19)23-17(22-12)7-4-3-5-8-17/h2,6,9,12,15-16,20H,3-5,7-8,10H2,1H3/b6-2+/t12-,15+,16-/m1/s1
InChI key：
FQGVONROIAGSOF-UZOUZWLUSA-N
SMILES：
C/C=C/C(=O)OCC1=C[C@H]2OC3(CCCCC3)O[C@H]2[C@@H](O)C1=O
Systematic name (3)：
- (3aS)-4β-ヒドロキシ-6-(クロトノイルオキシメチル)-3aα,4,5,7aα-テトラヒドロスピロ[1,3-ベンゾジオキソール-2,1′-シクロヘキサン]-5-オン
- [(3aS,4R,7aR)-4-ヒドロキシ-5-オキソ-3a,4,5,7a-テトラヒドロスピロ[1,3-ベンゾジオキソール-2,1'-シクロヘキサン]-6-イル]メチル (2E)-ブタ-2-エノアート
- [(3aS,4R,7aR)-4-hydroxy-5-oxo-3a,4,5,7a-tetrahydrospiro[1,3-benzodioxole-2,1'-cyclohexan]-6-yl]methyl (2E)-but-2-enoate
- (3aS)-4β-Hydroxy-6-(crotonoyloxymethyl)-3aα,4,5,7aα-tetrahydrospiro[1,3-benzodioxole-2,1′-cyclohexane]-5-one
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