Chem
J-GLOBAL ID：200907013160972062   Nikkaji number：J14.136D

Sequirin C

セキリンC
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： C17H18O5
Molecular formula furigana： C17-H18-O5
Molecular weight： 302.326
InChI： InChI=1S/C17H18O5/c18-10-17(22)14(12-4-8-15(20)16(21)9-12)7-3-11-1-5-13(19)6-2-11/h1-9,14,17-22H,10H2/b7-3+/t14-,17+/m0/s1
InChI key： UWWISKPOVFKUES-SITIDLGXSA-N
SMILES： OC[C@@H](O)[C@@H](/C=C/c1ccc(O)cc1)c1ccc(O)c(O)c1
Systematic name  (3)：
  • 4-[(S,E)-1-[(S)-1,2-ジヒドロキシエチル]-3-(4-ヒドロキシフェニル)-2-プロペニル]-1,2-ベンゼンジオール
  • 4-[(1E,3S,4S)-4,5-ジヒドロキシ-1-(4-ヒドロキシフェニル)ペンタ-1-エン-3-イル]ベンゼン-1,2-ジオール
  • 4-[(1E,3S,4S)-4,5-dihydroxy-1-(4-hydroxyphenyl)pent-1-en-3-yl]benzene-1,2-diol
Other name (4)：
  • セキリンC
  • Sequirin C
  • 4-[(S,E)-1-[(S)-1,2-Dihydroxyethyl]-3-(4-hydroxyphenyl)-2-propenyl]-1,2-benzenediol
  • セクイリンC
CAS registry number： 18194-29-1
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