Chem
J-GLOBAL ID：200907060245766729   Nikkaji number：J8.402F

Trichothecin

トリコテシン
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： C19H24O5
Molecular formula furigana： C19-H24-O5
Molecular weight： 332.396
InChI： InChI=1S/C19H24O5/c1-5-6-16(21)24-14-8-15-19(10-22-19)18(14,4)17(3)9-12(20)11(2)7-13(17)23-15/h5-7,13-15H,8-10H2,1-4H3/b6-5-/t13-,14-,15-,17+,18-,19+/m1/s1
InChI key： LJWZOKOFCBPNAG-HULHSAFCSA-N
SMILES： C/C=C\C(=O)O[C@@H]1C[C@H]2O[C@@H]3C=C(C)C(=O)C[C@]3(C)[C@]1(C)[C@@]12CO1
Systematic name  (3)：
  • 8-オキソ-12,13-エポキシトリコテカ-9-エン-4β-オール(Z)-2-ブテノアート
  • (1'S,2S,2'R,7'R,9'R,11'R)-1',2',5'-トリメチル-4'-オキソ-8'-オキサスピロ[オキシラン-2,12'-トリシクロ[7.2.1.02,7]ドデカン]-5'-エン-11'-イル (2Z)-ブタ-2-エノアート
  • (1'S,2S,2'R,7'R,9'R,11'R)-1',2',5'-trimethyl-4'-oxo-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.02,7]dodecan]-5'-en-11'-yl (2Z)-but-2-enoate
Other name (3)：
  • トリコテシン
  • Trichothecin
  • 8-Oxo-12,13-epoxytrichothec-9-en-4β-ol (Z)-2-butenoate
CAS registry number： 6379-69-7
KEGG COMPOUND： C09742
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