Chem
J-GLOBAL ID：201507083431451867   Nikkaji number：J3.378.845B

Myrifralignan A

ミリフラリグナンA
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： C21H24O6
Molecular formula furigana： C21-H24-O6
Molecular weight： 372.417
InChI： InChI=1S/C21H24O6/c1-5-6-14-9-18(23-3)21(19(10-14)24-4)27-13(2)20(22)15-7-8-16-17(11-15)26-12-25-16/h5-11,13,20,22H,12H2,1-4H3/t13-,20-/m0/s1
InChI key： BIIFKDVLCXMTHE-RBZFPXEDSA-N
SMILES： COc1cc(C=CC)cc(OC)c1O[C@@H](C)[C@H](O)c1ccc2OCOc2c1
Systematic name  (3)：
  • (1R,2S)-1-(1,3-ベンゾジオキソール5-イル)-2-[2,6-ジメトキシ-4-(1-プロペニル)フェノキシ]プロパン-1-オール
  • (1R,2S)-1-(2H-1,3-ベンゾジオキソール-5-イル)-2-[2,6-ジメトキシ-4-(プロパ-1-エン-1-イル)フェノキシ]プロパン-1-オール
  • (1R,2S)-1-(2H-1,3-benzodioxol-5-yl)-2-[2,6-dimethoxy-4-(prop-1-en-1-yl)phenoxy]propan-1-ol
Other name (3)：
  • (1R,2S)-1-(1,3-Benzodioxole 5-yl)-2-[2,6-dimethoxy-4-(1-propenyl)phenoxy]propane-1-ol
  • ミリフラリグナンA
  • Myrifralignan A
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