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Chemical structure of 16-Keto Aspergillimide

GC61740

16-Keto Aspergillimide

Also known as (1S,6S,9S,11S)-1',6,10,10,13-pentamethylspiro[3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane-11,3'-pyrrolidine]-2',4,5',14-tetrone

16-Keto Aspergillimide (SB202327) is an anthelmintic agent isolated from Aspergillus strain IMI 337664

ChemicalCAS199784-50-4MW373.45FormulaC20H27N3O4
CAS number
199784-50-4
Molecular weight
373.45
Formula
C20H27N3O4
InChIKey
YAYKUKWEFJDSJG-SMEOYISOSA-N
Catalogue number
GC61740
Brand
GLPBIO
Computed properties PubChem CID 154735169 · XLogP -0.2 · TPSA 78 Ų · H-bond donors 0
XLogP
-0.2
TPSA
78 Ų
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
27

SMILES C[C@H]1CC(=O)N2C13C[C@@H]4[C@](C2)(C[C@@]5(C4(C)C)CC(=O)N(C5=O)C)N(C3=O)C

Computed descriptors from PubChem (CID 154735169), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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