Chem
J-GLOBAL ID：200907016004411599   Nikkaji number：J607.472C

Crepidatin

クレピダチン
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： C18H22O5
Molecular formula furigana： C18-H22-O5
Molecular weight： 318.369
InChI： InChI=1S/C18H22O5/c1-20-15-9-12(7-8-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h7-11,19H,5-6H2,1-4H3
InChI key： NRAJPMHEOBLUQC-UHFFFAOYSA-N
SMILES： COc1cc(CCc2cc(OC)c(OC)c(OC)c2)ccc1O
Systematic name  (5)：
  • 2-メトキシ-4-[2-(3,4,5-トリメトキシフェニル)エチル]フェノール
  • 1-(4-ヒドロキシ-3-メトキシフェニル)-2-(3,4,5-トリメトキシフェニル)エタン
  • 4-[2-(3,4,5-トリメトキシフェニル)エチル]-2-メトキシフェノール
  • 4-(3,4,5-トリメトキシフェネチル)-2-メトキシフェノール
  • 2-methoxy-4-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol
Other name (5)：
  • 1-(4-Hydroxy-3-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane
  • クレピダチン
  • Crepidatin
  • 4-[2-(3,4,5-Trimethoxyphenyl)ethyl]-2-methoxyphenol
  • 4-(3,4,5-Trimethoxyphenethyl)-2-methoxyphenol
CAS registry number： 101508-50-3
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