Name: 13C15-Nivalenol
Rating: 5 (10 reviews)

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HIT ID:HIT214320644
Cas No:911392-40-0
常用名:13C15-Nivalenol
别名:13C15-Nivalenol
IUPAC:(1'S,2S,2'R,3'S,7'R,9'R,10'R,11'S)-3',10',11'-trihydroxy-2'-[hydroxy(13C)methyl]-1',5'-di(13C)methyl(1',2,2',3,3',4',5',6',7',9',10',11'-13C12)-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0^{2,7}]dodecan]-5'-en-4'-one
IUPAC:(1'S,2S,2'R,3'S,7'R,9'R,10'R,11'S)-3',10',11'-trihydroxy-2'-[hydroxy(13C)methyl]-1',5'-di(13C)methyl(1',2,2',3,3',4',5',6',7',9',10',11'-13C12)-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0^{2,7}]dodecan]-5'-en-4'-one
InChI key:UKOTXHQERFPCBU-WFPUMLOVSA-N

分子式:C15H20O7
分子量:327.203
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][13C@@]12O[13C@]3([H])[13CH]=[13C]([13CH3])[13C](=O)[13C@@H](O)[13C@]3([13CH2]O)[13C@@]([13CH3])([13C@H](O)[13C@H]1O)[13C@]21[13CH2]O1 |t:5,TLB:18:17:21:2.3.12,23:21:2.3.12:19.17,THB:13:12:21:19.17,10:12:21:19.17,20:19:21:2.3.12,22:21:2.3.12:19.17|
SMILES:[H][13C@@]12O[13C@]3([H])[13CH]=[13C]([13CH3])[13C](=O)[13C@@H](O)[13C@]3([13CH2]O)[13C@@]([13CH3])([13C@H](O)[13C@H]1O)[13C@]21[13CH2]O1 |t:5,TLB:18:17:21:2.3.12,23:21:2.3.12:19.17,THB:13:12:21:19.17,10:12:21:19.17,20:19:21:2.3.12,22:21:2.3.12:19.17|

13C15-Nivalenol is intended for use as an internal standard for the quantification of nivalenol by GC- or LC-MS. Nivalenol is a trichothecene mycotoxin that has been found inFusarium.1It is lethal to mice (LD50= 6.9 mg/kg).2Nivalenol (5, 10, and 15 mg/kg) also induces thymic, splenic, and Peyer's patch cell apoptosis in mice.3

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