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Chemical structure of Aspergillimide

GC45387

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',5',14-trione

Aspergillimide ((rel)-Aspergillimide), an anthelmintic metabolite, is isolated from okara that has been fermented with Aspergillus japonicas JV-23

ChemicalCAS195966-93-9MW359.5FormulaC20H29N3O3
CAS number
195966-93-9
Molecular weight
359.5
Formula
C20H29N3O3
Solubility
DMSO： soluble,Ethanol： soluble,Methanol： soluble
InChIKey
RTNMRJRMTGSUAE-UXVBPGSQSA-N
Catalogue number
GC45387
Brand
GLPBIO
Computed properties PubChem CID 154701594 · XLogP 0.7 · TPSA 60.9 Ų · H-bond donors 0
XLogP
0.7
TPSA
60.9 Ų
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
26

SMILES C[C@H]1CCN2C13C[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 154701594), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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