Chem
J-GLOBAL ID：200907013710229702   Nikkaji number：J2.335.355E

Cohaerin E

コヘリンF
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： C27H36O6
Molecular formula furigana： C27-H36-O6
Molecular weight： 456.579
InChI： InChI=1S/C27H36O6/c1-5-6-7-8-9-16(2)22(29)14-21-20-15-33-24(11-18(20)12-25(31)27(21,4)32)26-17(3)10-19(28)13-23(26)30/h11-12,15-16,19,21,28,32H,5-10,13-14H2,1-4H3/t16?,19?,21-,27-/m1/s1
InChI key： MDZAMUBMPBLGAO-MMMYSLHOSA-N
SMILES： CCCCCCC(C)C(=O)C[C@@H]1C2=COC(=CC2=CC(=O)[C@]1(C)O)C1=C(C)CC(O)CC1=O
Systematic name  (3)：
  • (7R,8R)-3-(2-メチル-4-ヒドロキシ-6-オキソ-1-シクロヘキセニル)-7-ヒドロキシ-7-メチル-8-(2-オキソ-3-メチルノニル)-7,8-ジヒドロ-6H-2-ベンゾピラン-6-オン
  • (7R,8R)-7-ヒドロキシ-3-(4-ヒドロキシ-2-メチル-6-オキソシクロヘキサ-1-エン-1-イル)-7-メチル-8-(3-メチル-2-オキソノニル)-7,8-ジヒドロ-6H-イソクロメン-6-オン
  • (7R,8R)-7-hydroxy-3-(4-hydroxy-2-methyl-6-oxocyclohex-1-en-1-yl)-7-methyl-8-(3-methyl-2-oxononyl)-7,8-dihydro-6H-isochromen-6-one
Other name (3)：
  • (7R,8R)-3-(2-Methyl-4-hydroxy-6-oxo-1-cyclohexenyl)-7-hydroxy-7-methyl-8-(2-oxo-3-methylnonyl)-7,8-dihydro-6H-2-benzopyran-6-one
  • コヘリンF
  • Cohaerin E
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