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Chemical structure of Aszonalenin

GC42864

Aszonalenin

Also known as 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

Aszonalenin is a hexahydropyrrolo[2,3-b]indole-containing fungal metabolite produced by A

ChemicalCAS81797-27-5MW373.5FormulaC23H23N3O2
CAS number
81797-27-5
Molecular weight
373.5
Formula
C23H23N3O2
Solubility
Soluble in DMSO
InChIKey
AVLMMDWEIUEKEK-UHFFFAOYSA-N
Catalogue number
GC42864
Brand
GLPBIO
Computed properties PubChem CID 4037170 · XLogP 4.2 · TPSA 61.4 Ų · H-bond donors 2
XLogP
4.2
TPSA
61.4 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
28

SMILES CC(C)(C=C)C12CC3C(=O)NC4=CC=CC=C4C(=O)N3C1NC5=CC=CC=C25

Computed descriptors from PubChem (CID 4037170), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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