Chem
J-GLOBAL ID：200907033003930144
Nikkaji number：J2.026.268K
Chicanin
キカニン
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： C20H22O5
Molecular formula furigana： C20-H22-O5
Molecular weight： 342.391
InChI：
InChI=1S/C20H22O5/c1-11-12(2)20(14-5-7-16-18(9-14)24-10-23-16)25-19(11)13-4-6-15(21)17(8-13)22-3/h4-9,11-12,19-21H,10H2,1-3H3/t11-,12+,19+,20+/m1/s1
InChI key：
JPDORDSJPIKURD-JJWOIWCPSA-N
SMILES：
COc1cc(ccc1O)[C@H]1O[C@@H]([C@@H](C)[C@H]1C)c1ccc2OCOc2c1
Systematic name (5)：
- 4-[(2S,3R,4S,5S)-5-(1,3-ベンゾジオキソール-5-イル)テトラヒドロ-3,4-ジメチルフラン-2-イル]-2-メトキシフェノール
- 2-メトキシ-4-[(2S)-3α,4α-ジメチル-5β-(1,3-ベンゾジオキソール-5-イル)テトラヒドロフラン-2α-イル]フェノール
- (2S,3R,4S,5S)-2-(3-メトキシ-4-ヒドロキシフェニル)-3,4-ジメチル-5-(1,3-ベンゾジオキソール-5-イル)テトラヒドロフラン
- 4-[(2S,3R,4S,5S)-5-(2H-1,3-ベンゾジオキソール-5-イル)-3,4-ジメチルオキソラン-2-イル]-2-メトキシフェノール
- 4-[(2S,3R,4S,5S)-5-(2H-1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
- 4-[(2S,3R,4S,5S)-5-(1,3-Benzodioxole-5-yl)tetrahydro-3,4-dimethylfuran-2-yl]-2-methoxyphenol
- キカニン
- Chicanin
- 2-Methoxy-4-[(2S)-3α,4α-dimethyl-5β-(1,3-benzodioxole-5-yl)tetrahydrofuran-2α-yl]phenol
- (+)-キカニン
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