Chem
J-GLOBAL ID：200907003864681068
Nikkaji number：J2.539.676F
(2S)-2α-(1,3-Benzodioxole-5-yl)-3β-(acetoxymethyl)-4β-(1,3-benzodioxole-5-ylmethyl)tetrahydrofuran
(2S)-2α-(1,3-ベンゾジオキソール-5-イル)-3β-(アセトキシメチル)-4β-(1,3-ベンゾジオキソール-5-イルメチル)テトラヒドロフラン
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： C22H22O7
Molecular formula furigana： C22-H22-O7
Molecular weight： 398.411
InChI：
InChI=1S/C22H22O7/c1-13(23)24-10-17-16(6-14-2-4-18-20(7-14)28-11-26-18)9-25-22(17)15-3-5-19-21(8-15)29-12-27-19/h2-5,7-8,16-17,22H,6,9-12H2,1H3/t16-,17-,22+/m0/s1
InChI key：
YXTPTAIGIJPTGR-PNLZDCPESA-N
SMILES：
CC(=O)OC[C@H]1[C@@H](Cc2ccc3OCOc3c2)CO[C@@H]1c1ccc2OCOc2c1
Systematic name (3)：
- (2S)-2α-(1,3-ベンゾジオキソール-5-イル)-3β-(アセトキシメチル)-4β-(1,3-ベンゾジオキソール-5-イルメチル)テトラヒドロフラン
- [(2S,3R,4R)-2-(2H-1,3-ベンゾジオキソール-5-イル)-4-[(2H-1,3-ベンゾジオキソール-5-イル)メチル]オキソラン-3-イル]メチル アセタート
- [(2S,3R,4R)-2-(2H-1,3-benzodioxol-5-yl)-4-[(2H-1,3-benzodioxol-5-yl)methyl]oxolan-3-yl]methyl acetate
- (2S)-2α-(1,3-Benzodioxole-5-yl)-3β-(acetoxymethyl)-4β-(1,3-benzodioxole-5-ylmethyl)tetrahydrofuran
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