Chem
J-GLOBAL ID：200907083131777127   Nikkaji number：J18.330J

Machilusin

マキルシン
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： C21H24O5
Molecular formula furigana： C21-H24-O5
Molecular weight： 356.418
InChI： InChI=1S/C21H24O5/c1-12-13(2)21(15-6-8-17-19(10-15)25-11-24-17)26-20(12)14-5-7-16(22-3)18(9-14)23-4/h5-10,12-13,20-21H,11H2,1-4H3/t12-,13+,20+,21+/m0/s1
InChI key： HSMDOSKNXLVXIP-GQSHPZAJSA-N
SMILES： COc1ccc(cc1OC)[C@@H]1O[C@H]([C@H](C)[C@@H]1C)c1ccc2OCOc2c1
Systematic name  (3)：
  • 5-[(2R)-5α-(3,4-ジメトキシフェニル)テトラヒドロ-3α,4α-ジメチルフラン-2β-イル]-1,3-ベンゾジオキソール
  • 5-[(2R,3R,4S,5R)-5-(3,4-ジメトキシフェニル)-3,4-ジメチルオキソラン-2-イル]-2H-1,3-ベンゾジオキソール
  • 5-[(2R,3R,4S,5R)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2H-1,3-benzodioxole
Other name (3)：
  • マキルシン
  • Machilusin
  • 5-[(2R)-5α-(3,4-Dimethoxyphenyl)tetrahydro-3α,4α-dimethylfuran-2β-yl]-1,3-benzodioxole
CAS registry number： 61989-57-9
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