Chem
J-GLOBAL ID：200907029017161537   Nikkaji number：J1.534.828C

4-Acetyl-12,13-epoxy-9-trichothecene-3,15-diol

4-アセチル-12,13-エポキシ-9-トリコテカエン-3,15-ジオール
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： C17H24O5
Molecular formula furigana： C17-H24-O5
Molecular weight： 308.374
InChI： InChI=1S/C17H24O5/c1-9-4-5-16(7-18)11(6-9)22-14-13(20)12(10(2)19)15(16,3)17(14)8-21-17/h6,11-14,18,20H,4-5,7-8H2,1-3H3/t11-,12?,13?,14-,15-,16-,17+/m1/s1
InChI key： IKCHNNKBILZBIO-ZONODZBLSA-N
SMILES： CC(=O)C1C(O)[C@H]2O[C@@H]3C=C(C)CC[C@]3(CO)[C@]1(C)[C@@]12CO1
Systematic name  (3)：
  • 4-アセチル-12,13-エポキシ-9-トリコテカエン-3,15-ジオール
  • 1-[(1'R,2S,2'R,7'R,9'R)-10'-ヒドロキシ-2'-(ヒドロキシメチル)-1',5'-ジメチル-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]エタン-1-オン
  • 1-[(1'R,2S,2'R,7'R,9'R)-10'-hydroxy-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.02,7]dodecan]-5'-en-11'-yl]ethan-1-one
Other name (1)：
  • 4-Acetyl-12,13-epoxy-9-trichothecene-3,15-diol
Thsaurus map：
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