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Chemical structure of Pseurotin A

GC18459

Pseurotin A

Also known as 8-benzoyl-2-[(E)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione

Pseurotin A is a secondary metabolite produced by Aspergillus and other fungi

ChemicalCAS58523-30-1MW431.4FormulaC22H25NO8
CAS number
58523-30-1
Molecular weight
431.4
Formula
C22H25NO8
Solubility
Methanol： Soluble
InChIKey
SLYDIPAXCVVRNY-VZUCSPMQSA-N
Catalogue number
GC18459
Brand
GLPBIO
Computed properties PubChem CID 5477694 · XLogP 0.5 · TPSA 142 Ų · H-bond donors 4
XLogP
0.5
TPSA
142 Ų
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
31

SMILES CC/C=C/C(C(C1=C(C(=O)C2(O1)C(C(NC2=O)(C(=O)C3=CC=CC=C3)OC)O)C)O)O

Computed descriptors from PubChem (CID 5477694), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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