Chem
J-GLOBAL ID:200907042136284244   Nikkaji number:J2.642.778I

Kayeassamin B

カイエアッサミンB
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: C26H34O6
Molecular formula furigana: C26-H34-O6
Molecular weight: 442.552
InChI: InChI=1S/C26H34O6/c1-6-9-20(28)23-24(30)17(13-12-16(5)11-8-10-15(3)4)26-22(25(23)31)18(19(27)7-2)14-21(29)32-26/h10,12,14,19,27,30-31H,6-9,11,13H2,1-5H3/b16-12+/t19-/m0/s1
InChI key: CVXJMIXOZUDJBC-BAILOTOSSA-N
SMILES: CCCC(=O)c1c(O)c(C/C=C(\C)/CCC=C(C)C)c2oc(=O)cc([C@@H](O)CC)c2c1O
Systematic name  (3):
  • 4-[(S)-1-ヒドロキシプロピル]-5,7-ジヒドロキシ-6-ブチリル-8-[(E)-3,7-ジメチル-2,6-オクタジエニル]-2H-1-ベンゾピラン-2-オン
  • 6-ブタノイル-8-[(2E)-3,7-ジメチルオクタ-2,6-ジエン-1-イル]-5,7-ジヒドロキシ-4-[(1S)-1-ヒドロキシプロピル]-2H-クロメン-2-オン
  • 6-butanoyl-8-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-4-[(1S)-1-hydroxypropyl]-2H-chromen-2-one
Other name (3):
  • 4-[(S)-1-Hydroxypropyl]-5,7-dihydroxy-6-butyryl-8-[(E)-3,7-dimethyl-2,6-octadienyl]-2H-1-benzopyran-2-one
  • カイエアッサミンB
  • Kayeassamin B
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