Chem
J-GLOBAL ID：200907016759823722   Nikkaji number：J385.694A

Acetyl T-2 toxin

アセチルT-2トキシン
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： C26H36O10
Molecular formula furigana： C26-H36-O10
Molecular weight： 508.564
InChI： InChI=1S/C26H36O10/c1-13(2)8-20(30)35-18-10-25(11-31-15(4)27)19(9-14(18)3)36-23-21(33-16(5)28)22(34-17(6)29)24(25,7)26(23)12-32-26/h9,13,18-19,21-23H,8,10-12H2,1-7H3/t18-,19+,21+,22+,23+,24+,25+,26-/m0/s1
InChI key： NOTOVTQRFFVBSB-VZPCOZJFSA-N
SMILES： CC(C)CC(=O)O[C@H]1C[C@@]2(COC(=O)C)[C@H](O[C@@H]3[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@]2(C)[C@@]23CO2)C=C1C
Systematic name  (3)：
  • 12,13-エポキシトリコテカ-9-エン-3α,4β,8α,15-テトラオール3,4,15-トリアセタート8-(3-メチルブタノアート)
  • (1'S,2S,2'R,4'S,7'R,9'R,10'R,11'S)-10',11'-ビス(アセチルオキシ)-2'-[(アセチルオキシ)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-4'-イル 3-メチルブタノアート
  • (1'S,2S,2'R,4'S,7'R,9'R,10'R,11'S)-10',11'-bis(acetyloxy)-2'-[(acetyloxy)methyl]-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.02,7]dodecan]-5'-en-4'-yl 3-methylbutanoate
Other name (3)：
  • アセチルT-2トキシン
  • Acetyl T-2 toxin
  • 12,13-Epoxytrichothec-9-ene-3α,4β,8α,15-tetrol 3,4,15-triacetate 8-(3-methylbutanoate)
Thsaurus map：
Thesaurus Map

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