Chem
J-GLOBAL ID：200907084698053860   Nikkaji number：J2.335.354G

Cohaerin E

コヘリンE
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： C28H30O6
Molecular formula furigana： C28-H30-O6
Molecular weight： 462.542
InChI： InChI=1S/C28H30O6/c1-5-6-7-8-10-17(3)26(31)24-25-19-15-33-21(23-16(2)11-9-12-20(23)29)13-18(19)14-22(30)28(25,4)34-27(24)32/h9,11-15,17,29H,5-8,10H2,1-4H3/t17?,28-/m0/s1
InChI key： BNPNEDGQFYVZTE-SNCIIYAQSA-N
SMILES： CCCCCCC(C)C(=O)C1=C2C3=COC(=CC3=CC(=O)[C@]2(C)OC1=O)c1c(C)cccc1O
Systematic name  (3)：
  • (6aR)-3-(2-ヒドロキシ-6-メチルフェニル)-6a-メチル-9-(2-メチルオクタノイル)-6a,8-ジヒドロ-6H-フロ[2,3-h]-2-ベンゾピラン-6,8-ジオン
  • (6aR)-3-(2-ヒドロキシ-6-メチルフェニル)-6a-メチル-9-(2-メチルオクタノイル)-6H,6aH,8H-フロ[2,3-h]イソクロメン-6,8-ジオン
  • (6aR)-3-(2-hydroxy-6-methylphenyl)-6a-methyl-9-(2-methyloctanoyl)-6H,6aH,8H-furo[2,3-h]isochromene-6,8-dione
Other name (3)：
  • (6aR)-3-(2-Hydroxy-6-methylphenyl)-6a-methyl-9-(2-methyloctanoyl)-6a,8-dihydro-6H-furo[2,3-h]-2-benzopyran-6,8-dione
  • コヘリンE
  • Cohaerin E
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