Chem
J-GLOBAL ID：200907045483182469   Nikkaji number：J1.891.481F

(5S)-2-Phenethyl-5α,6α,7α-trihydroxy-8β-chloro-5,6,7,8-tetrahydrochromone

(5S)-2-フェネチル-5α,6α,7α-トリヒドロキシ-8β-クロロ-5,6,7,8-テトラヒドロクロモン
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： C17H17ClO5
Molecular formula furigana： C17-H17-CL-O5
Molecular weight： 336.770
InChI： InChI=1S/C17H17ClO5/c18-13-15(21)16(22)14(20)12-11(19)8-10(23-17(12)13)7-6-9-4-2-1-3-5-9/h1-5,8,13-16,20-22H,6-7H2/t13-,14+,15-,16+/m1/s1
InChI key： WCUYELNCMCEJQL-QXSJWSMHSA-N
SMILES： O[C@@H]1[C@H](O)[C@@H](Cl)c2oc(CCc3ccccc3)cc(=O)c2[C@@H]1O
Systematic name  (4)：
  • (5S)-2-フェネチル-5α,6α,7α-トリヒドロキシ-8β-クロロ-5,6,7,8-テトラヒドロクロモン
  • (5S,6S,7S,8R)-8-クロロ-5,6,7,8-テトラヒドロ-5,6,7-トリヒドロキシ-2-フェネチル-4H-1-ベンゾピラン-4-オン
  • (5S,6S,7S,8R)-8-クロロ-5,6,7-トリヒドロキシ-2-(2-フェニルエチル)-5,6,7,8-テトラヒドロ-4H-クロメン-4-オン
  • (5S,6S,7S,8R)-8-chloro-5,6,7-trihydroxy-2-(2-phenylethyl)-5,6,7,8-tetrahydro-4H-chromen-4-one
Other name (2)：
  • (5S)-2-Phenethyl-5α,6α,7α-trihydroxy-8β-chloro-5,6,7,8-tetrahydrochromone
  • (5S,6S,7S,8R)-8-Chloro-5,6,7,8-tetrahydro-5,6,7-trihydroxy-2-phenethyl-4H-1-benzopyran-4-one
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