Chem
J-GLOBAL ID：200907059025731071   Nikkaji number：J866.085I

Xanthomonasin A

キサントモナシン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： C21H24O7
Molecular formula furigana： C21-H24-O7
Molecular weight： 388.416
InChI： InChI=1S/C21H24O7/c1-4-6-7-8-14(23)15-16-17-12(13(11-22)18(24)27-17)10-21(26,9-5-2)20(16,3)28-19(15)25/h5,9,11,24,26H,4,6-8,10H2,1-3H3/b9-5+/t20-,21-/m0/s1
InChI key： IPYDADJCQCMLGC-SJAOVVEKSA-N
SMILES： CCCCCC(=O)C1=C2c3oc(O)c(C=O)c3C[C@@](O)(/C=C/C)[C@@]2(C)OC1=O
Systematic name  (3)：
  • (5R)-4,5,5a,7-テトラヒドロ-2,5α-ジヒドロキシ-5aα-メチル-7-オキソ-8-(1-オキソヘキシル)-5-[(E)-1-プロペニル]ベンゾ[1,2-b:3,4-b′]ジフラン-3-カルボアルデヒド
  • (8R,9S)-12-ヘキサノイル-4,8-ジヒドロキシ-9-メチル-11-オキソ-8-[(1E)-プロパ-1-エン-1-イル]-3,10-ジオキサトリシクロ[7.3.0.02,6]ドデカ-1(12),2(6),4-トリエン-5-カルバルデヒド
  • (8R,9S)-12-hexanoyl-4,8-dihydroxy-9-methyl-11-oxo-8-[(1E)-prop-1-en-1-yl]-3,10-dioxatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4-triene-5-carbaldehyde
Other name (3)：
  • キサントモナシンA
  • Xanthomonasin A
  • (5R)-4,5,5a,7-Tetrahydro-2,5α-dihydroxy-5aα-methyl-7-oxo-8-(1-oxohexyl)-5-[(E)-1-propenyl]benzo[1,2-b:3,4-b′]difuran-3-carbaldehyde
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