Chem
J-GLOBAL ID：200907041742799156   Nikkaji number：J15.923I

Monascin

モナシン
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： C21H26O5
Molecular formula furigana： C21-H26-O5
Molecular weight： 358.434
InChI： InChI=1S/C21H26O5/c1-4-6-7-9-17(22)18-16-11-13-10-14(8-5-2)25-12-15(13)19(23)21(16,3)26-20(18)24/h5,8,10,16,18H,4,6-7,9,11-12H2,1-3H3/b8-5+/t16-,18+,21-/m1/s1
InChI key： XXKNHBAFFJINCK-RVEJDSBJSA-N
SMILES： CCCCCC(=O)[C@@H]1[C@H]2CC3=C(COC(=C3)/C=C/C)C(=O)[C@]2(C)OC1=O
Systematic name  (3)：
  • (3S)-3aα,4,8,9a-テトラヒドロ-9aβ-メチル-3-(1-オキソヘキシル)-6-[(E)-1-プロペニル]-2H-フロ[3,2-g][2]ベンゾピラン-2,9(3H)-ジオン
  • (3S,3aR,9aR)-3-ヘキサノイル-9a-メチル-6-[(1E)-プロパ-1-エン-1-イル]-2H,3H,3aH,4H,8H,9H,9aH-フロ[3,2-g]イソクロメン-2,9-ジオン
  • (3S,3aR,9aR)-3-hexanoyl-9a-methyl-6-[(1E)-prop-1-en-1-yl]-2H,3H,3aH,4H,8H,9H,9aH-furo[3,2-g]isochromene-2,9-dione
Other name (6)：
  • モナシン
  • モナスコフラビン
  • Monascin
  • Monascoflavin
  • (3S)-3aα,4,8,9a-Tetrahydro-9aβ-methyl-3-(1-oxohexyl)-6-[(E)-1-propenyl]-2H-furo[3,2-g][2]benzopyran-2,9(3H)-dione
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CAS registry number： 21516-68-7
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