Chem
J-GLOBAL ID：201307029355296777   Nikkaji number：J3.129.532G

Aquilarone C

アキラロン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： C18H20O7
Molecular formula furigana： C18-H20-O7
Molecular weight： 348.351
InChI： InChI=1S/C18H20O7/c1-24-10-5-2-9(3-6-10)4-7-11-8-12(19)13-14(20)15(21)16(22)17(23)18(13)25-11/h2-3,5-6,8,14-17,20-23H,4,7H2,1H3/t14-,15-,16-,17+/m0/s1
InChI key： NRDKOXSXHXTKHR-LUKYLMHMSA-N
SMILES： COc1ccc(CCc2cc(=O)c3[C@H](O)[C@H](O)[C@H](O)[C@@H](O)c3o2)cc1
Systematic name  (3)：
  • 2-(4-メトキシフェネチル)-5α,6α,7α,8β-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,6S,7S,8R)-5,6,7,8-テトラヒドロキシ-2-[2-(4-メトキシフェニル)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)-5,6,7,8-tetrahydroxy-2-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydro-4H-chromen-4-one
Other name (4)：
  • 2-(4-Methoxyphenethyl)-5α,6α,7α,8β-tetrahydroxy-5,6,7,8-tetrahydro-4H-1-benzopyran-4-one
  • Aquilarone C
  • アクイラロンC
  • アキラロンC
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