Chem
J-GLOBAL ID：200907066234451201
Nikkaji number：J1.968.941G
(3S)-3β-(1,3-Benzodioxole-5-ylmethyl)-4β-hydroxy-4-isopropyl-5-[(Z)-4-methoxybenzylidene]tetrahydrofuran-2-one
(3S)-3β-(1,3-ベンゾジオキソール-5-イルメチル)-4β-ヒドロキシ-4-イソプロピル-5-[(Z)-4-メトキシベンジリデン]テトラヒドロフラン-2-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： C23H24O6
Molecular formula furigana： C23-H24-O6
Molecular weight： 396.439
InChI：
InChI=1S/C23H24O6/c1-14(2)23(25)18(10-16-6-9-19-20(11-16)28-13-27-19)22(24)29-21(23)12-15-4-7-17(26-3)8-5-15/h4-9,11-12,14,18,25H,10,13H2,1-3H3/b21-12-/t18-,23-/m1/s1
InChI key：
LASNETWMMVWSNI-MEADVVORSA-N
SMILES：
COc1ccc(/C=C/2\OC(=O)[C@@H](Cc3ccc4OCOc4c3)[C@]2(O)C(C)C)cc1
Systematic name (3)：
- (3S)-3β-(1,3-ベンゾジオキソール-5-イルメチル)-4β-ヒドロキシ-4-イソプロピル-5-[(Z)-4-メトキシベンジリデン]テトラヒドロフラン-2-オン
- (3S,4R,5Z)-3-[(2H-1,3-ベンゾジオキソール-5-イル)メチル]-4-ヒドロキシ-5-[(4-メトキシフェニル)メチリデン]-4-(プロパン-2-イル)オキソラン-2-オン
- (3S,4R,5Z)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-hydroxy-5-[(4-methoxyphenyl)methylidene]-4-(propan-2-yl)oxolan-2-one
- (3S)-3β-(1,3-Benzodioxole-5-ylmethyl)-4β-hydroxy-4-isopropyl-5-[(Z)-4-methoxybenzylidene]tetrahydrofuran-2-one
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