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Diacetoxyscirpenol

CAT: 0804-HY-N6692-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N6692-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2270-40-8
UNSPSC Description
Diacetoxyscirpenol (DAS) is a trichothecene mycotoxin, a secondary metabolite product of fungi. Diacetoxyscirpenol (DAS) consumption induces haematological disorders (neutropenia, aplastic anemia) in human and animals[1].
Target Antigen
Endogenous Metabolite
Type
Natural Products
Related Pathways
Metabolic Enzyme/Protease
Applications
Neuroscience-Neuromodulation
Field of Research
Inflammation/Immunology
Purity
99.0
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
C[C@]12[C@@H]([C@H]([C@@H](O[C@@]3(C=C(CC[C@]23COC(C)=O)C)[H])[C@@]14CO4)O)OC(C)=O
Molecular Weight
366.41
References & Citations
[1]Lautraite S, et al. In vitro effects of diacetoxyscirpenol (DAS) on human and rat granulo-monocytic progenitors. Mycopathologia. 1997;140(1):59-64.|[2]Hoerr FJ, et al.Mycotoxicosis caused by a single dose of T-2 toxin or diacetoxyscirpenol in broiler chickens. Vet Pathol. 1981 Sep;18(5):652-64.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Clinical Information
No Development Reported

Chemical Information

Diacetoxyscirpenol

diacetoxyscirpenol has been reported in Fusarium graminearum, Albifimbria verrucaria, and Caenorhabditis elegans with data available.

CAS Number2270-40-8
PubChem CID15571694
IUPAC Name[(1S,2R,7R,9R,10R,11S,12S)-11-acetyloxy-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate
Molecular FormulaC19H26O7
Molecular Weight366.4
XLogP0.2
Topological Polar Surface Area94.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity687
SMILES
CC1=C[C@@H]2[C@](CC1)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)OC(=O)C)C)COC(=O)C
InChI
InChI=1S/C19H26O7/c1-10-5-6-18(8-23-11(2)20)13(7-10)26-16-14(22)15(25-12(3)21)17(18,4)19(16)9-24-19/h7,13-16,22H,5-6,8-9H2,1-4H3/t13-,14-,15-,16-,17-,18-,19+/m1/s1
InChIKey
AUGQEEXBDZWUJY-NMAPUUFXSA-N
Chemical Structure
2D Structure
2D structure of Diacetoxyscirpenol
CAS: 2270-40-8
CID: 15571694
Formula: C19H26O7
MW: 366.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight366.4
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass366.16785316
Monoisotopic Mass366.16785316
Topological Polar Surface Area94.6 Ų
Heavy Atom Count26
Formal Charge0
Complexity687
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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