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Chemical structure of Acetylaszonalenin

GC40952

Acetylaszonalenin

Also known as (2S,10S,12R)-3-acetyl-10-(2-methylbut-3-en-2-yl)-1,3,14-triazapentacyclo[10.9.0.02,10.04,9.015,20]henicosa-4,6,8,15,17,19-hexaene-13,21-dione

Acetylaszonalenin is a fungal metabolite that has been found in A

ChemicalCAS42230-55-7MW415.5FormulaC25H25N3O3
CAS number
42230-55-7
Molecular weight
415.5
Formula
C25H25N3O3
Solubility
Soluble in DMSO
InChIKey
TXNJQKDZOVFCAQ-XRODADMRSA-N
Catalogue number
GC40952
Brand
GLPBIO
Computed properties PubChem CID 102032591 · XLogP 3.6 · TPSA 69.7 Ų · H-bond donors 1
XLogP
3.6
TPSA
69.7 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
31

SMILES CC(=O)N1[C@H]2[C@](C[C@H]3N2C(=O)C4=CC=CC=C4NC3=O)(C5=CC=CC=C51)C(C)(C)C=C

Computed descriptors from PubChem (CID 102032591), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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