Chem
J-GLOBAL ID：201507071395087560   Nikkaji number：J3.378.849E

Myrifralignan E

ミリフラリグナンE
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： C22H26O8
Molecular formula furigana： C22-H26-O8
Molecular weight： 418.442
InChI： InChI=1S/C22H26O8/c1-13(20(24)15-11-16(26-2)21(25)17(12-15)27-3)30-22-18(28-4)9-14(7-6-8-23)10-19(22)29-5/h6-13,20,24-25H,1-5H3/t13-,20-/m0/s1
InChI key： LSQLFBQWURIMDJ-RBZFPXEDSA-N
SMILES： COc1cc(cc(OC)c1O)[C@@H](O)[C@H](C)Oc1c(OC)cc(C=CC=O)cc1OC
Systematic name  (3)：
  • (1R,2S)-1-(4-ヒドロキシ-3,5-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
  • 3-(4-{[(1R,2S)-1-ヒドロキシ-1-(4-ヒドロキシ-3,5-ジメトキシフェニル)プロパン-2-イル]オキシ}-3,5-ジメトキシフェニル)プロパ-2-エナール
  • 3-(4-{[(1R,2S)-1-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-2-yl]oxy}-3,5-dimethoxyphenyl)prop-2-enal
Other name (3)：
  • (1R,2S)-1-(4-Hydroxy-3,5-dimethoxyphenyl)-2-[2,6-dimethoxy-4-(3-oxo-1-propenyl)phenoxy]propane-1-ol
  • ミリフラリグナンE
  • Myrifralignan E
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