B-Trichothecenes Mixture 100 µg/mL in Acetonitrile
Documentation
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Product Information
Analyte Data
Analyte Name
Concentration
CAS Number
Molecular Structure
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Unlabelled CAS Number
Molecular Formula
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Molecular Weight
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Accurate Mass
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Melting Point
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Appearance/Form
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SMILES
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InChI
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IUPAC
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15-Acetyl-deoxynivalenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C17 H22 O7
Molecular Weight
338.35
Accurate Mass
338.1366
SMILES
CC(=O)OC[C@]12[C@H](O)C(=O)C(=C[C@H]1O[C@@H]3[C@H](O)C[C@@]2(C)[C@]34CO4)C
InChI
InChI=1S/C17H22O7/c1-8-4-11-16(6-22-9(2)18,13(21)12(8)20)15(3)5-10(19)14(24-11)17(15)7-23-17/h4,10-11,13-14,19,21H,5-7H2,1-3H3/t10-,11-,13-,14-,15-,16-,17+/m1/s1
3-Acetyl-deoxynivalenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C17 H22 O7
Molecular Weight
338.35
Accurate Mass
338.1366
SMILES
CC(=O)O[C@@H]1C[C@@]2(C)[C@]3(CO3)[C@@H]1O[C@@H]4C=C(C)C(=O)[C@@H](O)[C@]24CO
InChI
InChI=1S/C17H22O7/c1-8-4-11-16(6-18,13(21)12(8)20)15(3)5-10(23-9(2)19)14(24-11)17(15)7-22-17/h4,10-11,13-14,18,21H,5-7H2,1-3H3/t10-,11-,13-,14-,15-,16-,17+/m1/s1
Deoxynivalenol
CAS Number
Alternate CAS Number
Unlabelled CAS Number
-
Molecular Formula
C15 H20 O6
Molecular Weight
296.32
Accurate Mass
296.126
SMILES
CC1=C[C@H]2O[C@@H]3[C@H](O)C[C@@](C)([C@]34CO4)[C@@]2(CO)[C@H](O)C1=O
InChI
InChI=1S/C15H20O6/c1-7-3-9-14(5-16,11(19)10(7)18)13(2)4-8(17)12(21-9)15(13)6-20-15/h3,8-9,11-12,16-17,19H,4-6H2,1-2H3/t8-,9-,11-,12-,13-,14-,15+/m1/s1
Nivalenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H20 O7
Molecular Weight
312.32
Accurate Mass
312.1209
SMILES
CC1=C[C@H]2O[C@@H]3[C@H](O)[C@@H](O)[C@@](C)([C@]34CO4)[C@@]2(CO)[C@H](O)C1=O
InChI
InChI=1S/C15H20O7/c1-6-3-7-14(4-16,11(20)8(6)17)13(2)10(19)9(18)12(22-7)15(13)5-21-15/h3,7,9-12,16,18-20H,4-5H2,1-2H3/t7-,9-,10-,11-,12-,13-,14-,15+/m1/s1
Product Data
Storage Temperature
+4°C
Shipping Temperature
Room Temperature
Country of Origin
AUSTRIA
Product Format
Mixture
Solvent
Acetonitrile
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