Name: 15-Acetyl-deoxynivalenol
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT212666697
Cas No:88337-96-6
常用名:15-Acetyl-deoxynivalenol
IUPAC:[(1'R,2S,2'R,3'S,7'R,9'R,10'R)-3',10'-dihydroxy-1',5'-dimethyl-4'-oxo-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0^{2,7}]dodecan]-5'-en-2'-yl]methyl acetate
IUPAC:[(1'R,2S,2'R,3'S,7'R,9'R,10'R)-3',10'-dihydroxy-1',5'-dimethyl-4'-oxo-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0^{2,7}]dodecan]-5'-en-2'-yl]methyl acetate
InChI key:IDGRYIRJIFKTAN-HTJQZXIKSA-N

分子式:C17H22O7
分子量:338.356
氢键供体数 (HBD):2
氢键受体数 (HBA):6
LogP:-0.5275715
SMILES:CC(=O)OC[C@]12[C@H](O)C(=O)C(C)=C[C@H]1O[C@@H]1[C@H](O)C[C@@]2(C)[C@]11CO1
SMILES:CC(=O)OC[C@]12[C@H](O)C(=O)C(C)=C[C@H]1O[C@@H]1[C@H](O)C[C@@]2(C)[C@]11CO1

15-Acetyl-deoxynivalenol is a highly toxic trichothecene found in cereals and exhibits toxicity to HepG2 cells.

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