Chem
J-GLOBAL ID：200907018148699077
Nikkaji number：J346.620E
(-)-4-O-Demethylyatein
(-)-4-O-デメチルヤテイン
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： C21H22O7
Molecular formula furigana： C21-H22-O7
Molecular weight： 386.400
InChI：
InChI=1S/C21H22O7/c1-24-18-8-13(9-19(25-2)20(18)22)6-15-14(10-26-21(15)23)5-12-3-4-16-17(7-12)28-11-27-16/h3-4,7-9,14-15,22H,5-6,10-11H2,1-2H3/t14-,15+/m0/s1
InChI key：
DZBHCHXEAGTVGF-LSDHHAIUSA-N
SMILES：
COc1cc(C[C@@H]2[C@@H](Cc3ccc4OCOc4c3)COC2=O)cc(OC)c1O
Systematic name (6)：
- (3R,4R)-3-(4-ヒドロキシ-3,5-ジメトキシベンジル)-4-[(1,3-ベンゾジオキソール-5-イル)メチル]ジヒドロフラン-2(3H)-オン
- (3R,4R)-3-(4-ヒドロキシ-3,5-ジメトキシベンジル)-4-[(1,3-ベンゾジオキソール-6-イル)メチル]ジヒドロフラン-2(3H)-オン
- 3α-(4-ヒドロキシ-3,5-ジメトキシベンジル)-4β-[(1,3-ベンゾジオキソール-6-イル)メチル]ジヒドロフラン-2(3H)-オン
- (3R)-3α-(3,5-ジメトキシ-4-ヒドロキシベンジル)-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-2-オン
- (3R,4R)-4-[(2H-1,3-ベンゾジオキソール-5-イル)メチル]-3-[(4-ヒドロキシ-3,5-ジメトキシフェニル)メチル]オキソラン-2-オン
Show all
- 3α-(4-Hydroxy-3,5-dimethoxybenzyl)-4β-[(1,3-benzodioxol-6-yl)methyl]dihydrofuran-2(3H)-one
- (3R,4R)-3-(4-Hydroxy-3,5-dimethoxybenzyl)-4-[(1,3-benzodioxol-6-yl)methyl]dihydrofuran-2(3H)-one
- (-)-4-O-デメチルヤテイン
- (-)-4-O-Demethylyatein
- (3R)-3α-(3,5-Dimethoxy-4-hydroxybenzyl)-4β-(1,3-benzodioxole-5-ylmethyl)tetrahydrofuran-2-one
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