Chem
J-GLOBAL ID：200907083959667805   Nikkaji number：J19.245G

Agarotetrol

アガロテトロール
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： C17H18O6
Molecular formula furigana： C17-H18-O6
Molecular weight： 318.325
InChI： InChI=1S/C17H18O6/c18-11-8-10(7-6-9-4-2-1-3-5-9)23-17-12(11)13(19)14(20)15(21)16(17)22/h1-5,8,13-16,19-22H,6-7H2/t13-,14+,15+,16-/m0/s1
InChI key： CWMIROLCTHMEEO-JJXSEGSLSA-N
SMILES： O[C@@H]1[C@H](O)[C@@H](O)c2c(oc(CCc3ccccc3)cc2=O)[C@H]1O
Systematic name  (5)：
  • (5S)-5,6,7,8-テトラヒドロ-5α,6β,7β,8α-テトラヒドロキシ-2-(2-フェニルエチル)-4H-1-ベンゾピラン-4-オン
  • 2-フェネチル-5α,6β,7β,8α-テトラヒドロキシ-5,6,7,8-テトラヒドロ-4H-1-ベンゾピラン-4-オン
  • (5S,6R,7R,8S)-5,6,7,8-テトラヒドロキシ-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,6R,7R,8S)-5,6,7,8-tetrahydroxy-2-(2-phenylethyl)-5,6,7,8-tetrahydro-4H-chromen-4-one
  • (5S,6R,7R,8S)-5,6,7,8-テトラヒドロキシ-2-フェネチル-5,6,7,8-テトラヒドロ-4H-1-ベンゾピラン-4-オン
Other name (4)：
  • アガロテトロール
  • Agarotetrol
  • (5S)-5,6,7,8-Tetrahydro-5α,6β,7β,8α-tetrahydroxy-2-(2-phenylethyl)-4H-1-benzopyran-4-one
  • 2-Phenethyl-5α,6β,7β,8α-tetrahydroxy-5,6,7,8-tetrahydro-4H-1-benzopyran-4-one
CAS registry number： 69809-22-9
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