Chem
J-GLOBAL ID：200907067339163690   Nikkaji number：J54.418C

T-2 triol

T-2トリオール
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： C20H30O7
Molecular formula furigana： C20-H30-O7
Molecular weight： 382.453
InChI： InChI=1S/C20H30O7/c1-10(2)5-14(22)26-12-7-19(8-21)13(6-11(12)3)27-17-15(23)16(24)18(19,4)20(17)9-25-20/h6,10,12-13,15-17,21,23-24H,5,7-9H2,1-4H3/t12-,13+,15+,16+,17+,18+,19+,20-/m0/s1
InChI key： DDAUKBBLCGQHIP-CAVDVMKYSA-N
SMILES： CC(C)CC(=O)O[C@H]1C[C@@]2(CO)[C@H](O[C@@H]3[C@H](O)[C@@H](O)[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'-ジヒドロキシ-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-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'-dihydroxy-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.02,7]dodecan]-5'-en-4'-yl 3-methylbutanoate
Other name (9)：
  • デアセチル-HT-2トキシン
  • Deacetyl-HT-2 toxin
  • 12,13-Epoxytrichothec-9-ene-3α,4β,8α,15-tetrol 8-(3-methylbutanoate)
  • 3′-Hydroxy HT-2
  • 3′-ヒドロキシHT-2
Show all
CAS registry number： 34114-98-2
Regulation number (1)：
  • YD0105000
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