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Chemical structure of diacetoxy Scirpenol

GC18319

diacetoxy Scirpenol

Also known as [(1S,2R,7R,9R,10R,11S,12R)-11-acetyloxy-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate

diacetoxy Scirpenol (DAS) is a potent, trichothecene mycotoxin produced by certain Fusarium strains, which play an important role as plant pathogens, causing a wide range of diseases

ChemicalCAS2270-40-8MW366.4FormulaC19H26O7
CAS number
2270-40-8
Molecular weight
366.4
Formula
C19H26O7
Solubility
DMF: 30 mg/ml,DMF:PBS (pH 7·2) (1:4): 0·2 mg/ml,DMSO: 30 mg/ml,Ethanol: 20 mg/ml
InChIKey
AUGQEEXBDZWUJY-ZLJUKNTDSA-N
Catalogue number
GC18319
Brand
GLPBIO
Computed properties PubChem CID 91518 · XLogP 0.2 · TPSA 94.6 Ų · H-bond donors 1
XLogP
0.2
TPSA
94.6 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
26

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

Computed descriptors from PubChem (CID 91518), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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