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Chemical structure of epi-Aszonalenin A

GC40010

epi-Aszonalenin A

Also known as (2S,10S,12S)-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

epi-Aszonalenin A is a benzodiazepine fungal metabolite originally isolated from A

ChemicalCAS908853-14-5MW415.5FormulaC25H25N3O3
CAS number
908853-14-5
Molecular weight
415.5
Formula
C25H25N3O3
Solubility
DMSO： soluble,Ethanol： 1 mg/ml,Methanol： soluble
InChIKey
TXNJQKDZOVFCAQ-ZWSUVBHBSA-N
Catalogue number
GC40010
Brand
GLPBIO
Computed properties PubChem CID 102254364 · 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 102254364), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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