Chem
J-GLOBAL ID：201807006837063114   Nikkaji number：J3.722.196A

Maceneolignan I

マセネオリグナンI
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： C21H26O6
Molecular formula furigana： C21-H26-O6
Molecular weight： 374.433
InChI： InChI=1S/C21H26O6/c1-5-6-14-11-19(25-3)21(20(12-14)26-4)27-16(13-22)9-15-7-8-17(23)18(10-15)24-2/h5,7-8,10-12,16,22-23H,1,6,9,13H2,2-4H3/t16-/m0/s1
InChI key： KAYDYTFQXQQYCD-INIZCTEOSA-N
SMILES： COc1cc(C[C@@H](CO)Oc2c(OC)cc(CC=C)cc2OC)ccc1O
Systematic name  (3)：
  • 2-メトキシ-4-[(2S)-3-ヒドロキシ-2-(2,6-ジメトキシ-4-アリルフェノキシ)プロピル]フェノール
  • 4-[(2S)-2-[2,6-ジメトキシ-4-(プロパ-2-エン-1-イル)フェノキシ]-3-ヒドロキシプロピル]-2-メトキシフェノール
  • 4-[(2S)-2-[2,6-dimethoxy-4-(prop-2-en-1-yl)phenoxy]-3-hydroxypropyl]-2-methoxyphenol
Other name (3)：
  • 2-Methoxy-4-[(2S)-3-hydroxy-2-(2,6-dimethoxy-4-allylphenoxy)propyl]phenol
  • マセネオリグナンI
  • Maceneolignan I
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