Chem
J-GLOBAL ID：201507055368160969   Nikkaji number：J3.378.846K

Myrifralignan B

ミリフラリグナンB
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： C24H28O8
Molecular formula furigana： C24-H28-O8
Molecular weight： 444.480
InChI： InChI=1S/C24H28O8/c1-15(23(32-16(2)26)18-9-10-19(27-3)20(14-18)28-4)31-24-21(29-5)12-17(8-7-11-25)13-22(24)30-6/h7-15,23H,1-6H3/t15-,23-/m0/s1
InChI key： AQQSTROJTNDMJU-WNSKOXEYSA-N
SMILES： COc1ccc(cc1OC)[C@@H](OC(=O)C)[C@H](C)Oc1c(OC)cc(C=CC=O)cc1OC
Systematic name  (3)：
  • (1R,2S)-1-(3,4-ジメトキシフェニル)-2-[2,6-ジメトキシ-4-(3-オキソ-1-プロペニル)フェノキシ]プロパン-1-オールアセタート
  • (1R,2S)-2-[2,6-ジメトキシ-4-(3-オキソプロパ-1-エン-1-イル)フェノキシ]-1-(3,4-ジメトキシフェニル)プロピル アセタート
  • (1R,2S)-2-[2,6-dimethoxy-4-(3-oxoprop-1-en-1-yl)phenoxy]-1-(3,4-dimethoxyphenyl)propyl acetate
Other name (3)：
  • (1R,2S)-1-(3,4-Dimethoxyphenyl)-2-[2,6-dimethoxy-4-(3-oxo-1-propenyl)phenoxy]propane-1-ol acetate
  • ミリフラリグナンB
  • Myrifralignan B
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