Chem
J-GLOBAL ID：200907063150605271   Nikkaji number：J2.172.030E

Cohaerin A

コヘリンA
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： C26H28O6
Molecular formula furigana： C26-H28-O6
Molecular weight： 436.504
InChI： InChI=1S/C26H28O6/c1-5-6-7-8-10-17(3)25(30)32-26(4)22(28)14-18-13-21(31-15-19(18)24(26)29)23-16(2)11-9-12-20(23)27/h9-15,27H,5-8H2,1-4H3/b17-10+/t26-/m0/s1
InChI key： WJUXIDJEIYLXTQ-NTCLMWMPSA-N
SMILES： CCCCC/C=C(\C)/C(=O)O[C@@]1(C)C(=O)C=C2C=C(OC=C2C1=O)c1c(C)cccc1O
Systematic name  (3)：
  • (E)-2-メチル-2-オクテン酸(S)-3-(2-ヒドロキシ-6-メチルフェニル)-6,8-ジオキソ-7-メチル-7,8-ジヒドロ-6H-2-ベンゾピラン-7α-イル
  • (7S)-3-(2-ヒドロキシ-6-メチルフェニル)-7-メチル-6,8-ジオキソ-7,8-ジヒドロ-6H-イソクロメン-7-イル (2E)-2-メチルオクタ-2-エノアート
  • (7S)-3-(2-hydroxy-6-methylphenyl)-7-methyl-6,8-dioxo-7,8-dihydro-6H-isochromen-7-yl (2E)-2-methyloct-2-enoate
Other name (3)：
  • (E)-2-Methyl-2-octenoic acid (S)-3-(2-hydroxy-6-methylphenyl)-6,8-dioxo-7-methyl-7,8-dihydro-6H-2-benzopyran-7α-yl ester
  • コヘリンA
  • Cohaerin A
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