Chem
J-GLOBAL ID：200907065219092886   Nikkaji number：J2.335.352K

Cohaerin C

コヘリン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： C28H34O7
Molecular formula furigana： C28-H34-O7
Molecular weight： 482.573
InChI： InChI=1S/C28H34O7/c1-5-6-7-8-9-15(2)26(32)24-25-19-14-34-21(23-16(3)10-18(29)13-20(23)30)11-17(19)12-22(31)28(25,4)35-27(24)33/h11-12,14-15,18,24-25,29H,5-10,13H2,1-4H3/t15?,18?,24?,25?,28-/m0/s1
InChI key： GKKNMNFXYPXAOJ-UCAZGYMLSA-N
SMILES： CCCCCCC(C)C(=O)C1C2C3=COC(=CC3=CC(=O)[C@]2(C)OC1=O)C1=C(C)CC(O)CC1=O
Systematic name  (3)：
  • (6aR)-3-(2-メチル-4-ヒドロキシ-6-オキソ-1-シクロヘキセニル)-6a-メチル-9-(2-メチルオクタノイル)-6a,8,9,9a-テトラヒドロ-6H-フロ[2,3-h]-2-ベンゾピラン-6,8-ジオン
  • (6aR)-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)-6a-メチル-9-(2-メチルオクタノイル)-6H,6aH,8H,9H,9aH-フロ[2,3-h]イソクロメン-6,8-ジオン
  • (6aR)-3-(4-hydroxy-2-methyl-6-oxocyclohex-1-en-1-yl)-6a-methyl-9-(2-methyloctanoyl)-6H,6aH,8H,9H,9aH-furo[2,3-h]isochromene-6,8-dione
Other name (3)：
  • (6aR)-3-(2-Methyl-4-hydroxy-6-oxo-1-cyclohexenyl)-6a-methyl-9-(2-methyloctanoyl)-6a,8,9,9a-tetrahydro-6H-furo[2,3-h]-2-benzopyran-6,8-dione
  • コヘリンC
  • Cohaerin C
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