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HIT214319789
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HIT214319789
  • HIT ID:HIT214319789
  • Cas No:81771-19-9
  • 常用名:Lolitrem B
  • IUPAC:(1S,9R,13R,19S,22S,23S,25R,26R,28S,31S,33S,36R)-22-hydroxy-1,10,10,12,12,30,30,36-octamethyl-28-(2-methylprop-1-en-1-yl)-11,24,27,29,32-pentaoxa-3-azadecacyclo[17.17.0.0^{2,17}.0^{4,16}.0^{7,15}.0^{9,13}.0^{22,36}.0^{23,25}.0^{23,33}.0^{26,31}]hexatriaconta-2(17),4,6,15-tetraen-8-one
    IUPAC:(1S,9R,13R,19S,22S,23S,25R,26R,28S,31S,33S,36R)-22-hydroxy-1,10,10,12,12,30,30,36-octamethyl-28-(2-methylprop-1-en-1-yl)-11,24,27,29,32-pentaoxa-3-azadecacyclo[17.17.0.0^{2,17}.0^{4,16}.0^{7,15}.0^{9,13}.0^{22,36}.0^{23,25}.0^{23,33}.0^{26,31}]hexatriaconta-2(17),4,6,15-tetraen-8-one
  • InChI key:HGBZMCXKHKZYBF-WZGHVFPCSA-N
  • 分子式:C42H55NO7
  • 分子量:685.902
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:[H][C@]12O[C@@]11[C@]([H])(CC[C@]3(C)[C@@]4(C)c5[nH]c6ccc7C(=O)[C@]8([H])[C@@]([H])(Cc7c6c5C[C@]4([H])CC[C@@]13O)C(C)(C)OC8(C)C)O[C@@]1([H])[C@@]2([H])O[C@@H](OC1(C)C)C=C(C)C |wU:8.9,29.34,22.23,45.54,1.0,wD:33.40,3.2,10.11,20.21,4.5,48.62,43.51,(2.73,.99,;3.02,2.5,;4.54,2.21,;4.03,3.66,;3.53,5.12,;3.02,6.57,;4.54,6.28,;6.05,5.99,;6.55,4.54,;7.56,5.7,;8.06,4.25,;8.2,5.78,;9.29,5.18,;9.74,6.65,;11.28,6.68,;12.29,7.85,;13.8,7.56,;14.3,6.1,;15.82,5.81,;16.82,6.98,;16.32,4.36,;17.44,5.41,;15.31,3.19,;14.43,1.93,;13.8,3.48,;13.3,4.94,;11.78,5.23,;10.56,4.3,;10.11,2.82,;8.57,2.79,;9.22,1.4,;7.56,1.63,;6.05,1.92,;5.54,3.37,;5.41,1.84,;16.11,1.87,;16.28,.34,;14.89,.93,;17.61,2.22,;17.74,3.76,;18.19,5.23,;19.25,3.47,;2.02,5.41,;1.01,4.24,;.5,5.7,;1.51,2.79,;2.02,1.33,;.5,1.63,;-1.01,1.92,;-1.51,3.37,;-.5,4.53,;.04,5.97,;-1.83,5.33,;-2.02,.75,;-3.53,1.04,;-4.54,-.12,;-4.03,2.5,)|
    SMILES:[H][C@]12O[C@@]11[C@]([H])(CC[C@]3(C)[C@@]4(C)c5[nH]c6ccc7C(=O)[C@]8([H])[C@@]([H])(Cc7c6c5C[C@]4([H])CC[C@@]13O)C(C)(C)OC8(C)C)O[C@@]1([H])[C@@]2([H])O[C@@H](OC1(C)C)C=C(C)C |wU:8.9,29.34,22.23,45.54,1.0,wD:33.40,3.2,10.11,20.21,4.5,48.62,43.51,(2.73,.99,;3.02,2.5,;4.54,2.21,;4.03,3.66,;3.53,5.12,;3.02,6.57,;4.54,6.28,;6.05,5.99,;6.55,4.54,;7.56,5.7,;8.06,4.25,;8.2,5.78,;9.29,5.18,;9.74,6.65,;11.28,6.68,;12.29,7.85,;13.8,7.56,;14.3,6.1,;15.82,5.81,;16.82,6.98,;16.32,4.36,;17.44,5.41,;15.31,3.19,;14.43,1.93,;13.8,3.48,;13.3,4.94,;11.78,5.23,;10.56,4.3,;10.11,2.82,;8.57,2.79,;9.22,1.4,;7.56,1.63,;6.05,1.92,;5.54,3.37,;5.41,1.84,;16.11,1.87,;16.28,.34,;14.89,.93,;17.61,2.22,;17.74,3.76,;18.19,5.23,;19.25,3.47,;2.02,5.41,;1.01,4.24,;.5,5.7,;1.51,2.79,;2.02,1.33,;.5,1.63,;-1.01,1.92,;-1.51,3.37,;-.5,4.53,;.04,5.97,;-1.83,5.33,;-2.02,.75,;-3.53,1.04,;-4.54,-.12,;-4.03,2.5,)|
  • Lolitrem B is one of many toxins produced by a fungus called Epichloë festucae (var. lolii), which grows in perennial ryegrass. The fungus is symbiotic with the ryegrass; it doesn't harm the plant, and the toxins it produces kill insects that feed on ryegrass. Lolitrem B is one of these toxins, but it is also harmful to mammals.
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  • 供应商
    TargetMolSC
    规格
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    ¥ 10,600.00
    1

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