Chem
J-GLOBAL ID：200907060902225598   Nikkaji number：J546.786A

Trichoverrol A

トリコベロール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： C23H32O7
Molecular formula furigana： C23-H32-O7
Molecular weight： 420.502
InChI： InChI=1S/C23H32O7/c1-14-8-9-22(12-24)18(10-14)29-19-11-17(21(22,3)23(19)13-28-23)30-20(27)7-5-4-6-16(26)15(2)25/h4-7,10,15-19,24-26H,8-9,11-13H2,1-3H3/b6-4+,7-5-/t15-,16-,17+,18+,19+,21+,22+,23-/m0/s1
InChI key： QFKRKMXPKBHGGO-OYWHZMLYSA-N
SMILES： C[C@H](O)[C@@H](O)/C=C/C=C\C(=O)O[C@@H]1C[C@H]2O[C@@H]3C=C(C)CC[C@]3(CO)[C@]1(C)[C@@]12CO1
Systematic name  (3)：
  • 12,13-エポキシ-4β-[[(2Z,4E,6S,7S)-6,7-ジヒドロキシ-1-オキソ-2,4-オクタジエニル]オキシ]トリコテカ-9-エン-15-オール
  • (1'S,2S,2'R,7'R,9'R,11'R)-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 (2Z,4E,6S,7S)-6,7-ジヒドロキシオクタ-2,4-ジエノアート
  • (1'S,2S,2'R,7'R,9'R,11'R)-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.02,7]dodecan]-5'-en-11'-yl (2Z,4E,6S,7S)-6,7-dihydroxyocta-2,4-dienoate
Other name (3)：
  • トリコベロールA
  • Trichoverrol A
  • 12,13-Epoxy-4β-[[(2Z,4E,6S,7S)-6,7-dihydroxy-1-oxo-2,4-octadienyl]oxy]trichothec-9-en-15-ol
CAS registry number： 76739-71-4
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