Chem
J-GLOBAL ID：201507013580608690   Nikkaji number：J3.353.832D

NX-2

12,13-エポキシトリコテカ-9-エン-3α,7α,15-トリオール3-アセタート
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： C17H24O6
Molecular formula furigana： C17-H24-O6
Molecular weight： 324.373
InChI： InChI=1S/C17H24O6/c1-9-4-12(20)16(7-18)13(5-9)23-14-11(22-10(2)19)6-15(16,3)17(14)8-21-17/h5,11-14,18,20H,4,6-8H2,1-3H3/t11-,12-,13-,14-,15-,16+,17+/m1/s1
InChI key： NKCFJIIVGLENIK-NOCMYWHHSA-N
SMILES： CC(=O)O[C@@H]1C[C@@]2(C)[C@]3(CO3)[C@@H]1O[C@@H]1C=C(C)C[C@@H](O)[C@]21CO
Systematic name  (3)：
  • 12,13-エポキシトリコテカ-9-エン-3α,7α,15-トリオール3-アセタート
  • (1'R,2S,2'R,3'R,7'R,9'R,10'R)-3'-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-10'-イル アセタート
  • (1'R,2S,2'R,3'R,7'R,9'R,10'R)-3'-hydroxy-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.02,7]dodecan]-5'-en-10'-yl acetate
Other name (2)：
  • 12,13-Epoxytrichotheca-9-ene-3α,7α,15-triol 3-acetate
  • NX-2
Thsaurus map：
Thesaurus Map

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