Chem
J-GLOBAL ID：200907007180705060   Nikkaji number：J783.178A

Trichothecinol A

トリコテシノール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： C19H24O6
Molecular formula furigana： C19-H24-O6
Molecular weight： 348.395
InChI： InChI=1S/C19H24O6/c1-5-6-13(21)25-15-14(22)16-19(9-23-19)18(15,4)17(3)8-11(20)10(2)7-12(17)24-16/h5-7,12,14-16,22H,8-9H2,1-4H3/b6-5-/t12-,14-,15-,16-,17+,18-,19+/m1/s1
InChI key： RVOJMELIZZNGBE-DUGZWPNFSA-N
SMILES： C/C=C\C(=O)O[C@@H]1[C@@H](O)[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-3α,4β-ジオール4-[(Z)-2-ブテノアート]
  • (1'S,2S,2'R,7'R,9'R,10'R,11'S)-10'-ヒドロキシ-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,10'R,11'S)-10'-hydroxy-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)：
  • トリコテシノールA
  • Trichothecinol A
  • 8-Oxo-12,13-epoxytrichothec-9-ene-3α,4β-diol 4-[(Z)-2-butenoate]
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