Chem
J-GLOBAL ID：200907012777442536   Nikkaji number：J2.561.538G

(2S)-2α-(1,3-Benzodioxole-5-yl)-3β,4β-bis(hydroxymethyl)-5α-(3,4-dimethoxyphenyl)tetrahydrofuran

(2S)-2α-(1,3-ベンゾジオキソール-5-イル)-3β,4β-ビス(ヒドロキシメチル)-5α-(3,4-ジメトキシフェニル)テトラヒドロフラン
Substance type：
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
Molecular formula： C21H24O7
Molecular formula furigana： C21-H24-O7
Molecular weight： 388.416
InChI： InChI=1S/C21H24O7/c1-24-16-5-3-12(7-18(16)25-2)20-14(9-22)15(10-23)21(28-20)13-4-6-17-19(8-13)27-11-26-17/h3-8,14-15,20-23H,9-11H2,1-2H3/t14-,15+,20+,21-/m1/s1
InChI key： NDEAUBGMPMQSPR-UGCQDJOBSA-N
SMILES： COc1ccc(cc1OC)[C@@H]1O[C@@H]([C@@H](CO)[C@H]1CO)c1ccc2OCOc2c1
Systematic name  (3)：
  • (2S)-2α-(1,3-ベンゾジオキソール-5-イル)-3β,4β-ビス(ヒドロキシメチル)-5α-(3,4-ジメトキシフェニル)テトラヒドロフラン
  • [(2S,3R,4S,5R)-2-(2H-1,3-ベンゾジオキソール-5-イル)-5-(3,4-ジメトキシフェニル)-4-(ヒドロキシメチル)オキソラン-3-イル]メタノール
  • [(2S,3R,4S,5R)-2-(2H-1,3-benzodioxol-5-yl)-5-(3,4-dimethoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methanol
Other name (1)：
  • (2S)-2α-(1,3-Benzodioxole-5-yl)-3β,4β-bis(hydroxymethyl)-5α-(3,4-dimethoxyphenyl)tetrahydrofuran
Thsaurus map：
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