Chem
J-GLOBAL ID：200907012325380690   Nikkaji number：J385.692E

3'-Hydroxy T-2

3′-ヒドロキシT-2
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： C22H32O8
Molecular formula furigana： C22-H32-O8
Molecular weight： 424.490
InChI： InChI=1S/C22H32O8/c1-11(2)6-16(25)29-14-8-21(9-23)15(7-12(14)3)30-19-17(26)18(28-13(4)24)20(21,5)22(19)10-27-22/h7,11,14-15,17-19,23,26H,6,8-10H2,1-5H3/t14-,15+,17+,18+,19+,20+,21+,22-/m0/s1
InChI key： NUZCGRJXRNRXPV-MLXHEQMXSA-N
SMILES： CC(C)CC(=O)O[C@H]1C[C@@]2(CO)[C@H](O[C@@H]3[C@H](O)[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4-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)-11'-(アセチルオキシ)-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-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)-11'-(acetyloxy)-10'-hydroxy-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 (3)：
  • 3′-ヒドロキシT-2
  • 3′-Hydroxy T-2
  • 12,13-Epoxytrichothec-9-ene-3α,4β,8α,15-tetrol 4-acetate 8-(3-methylbutanoate)
Thsaurus map：
Thesaurus Map

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