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Chemical structure of Paraherquamide E

GC44564

Paraherquamide E

Also known as (1'S,6'S,7'R,8R,9'S)-4,4,6',10',10',13'-hexamethylspiro[10H-[1,4]dioxepino[2,3-g]indole-8,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-9,14'-dione

Paraherquamide E is a fungal metabolite originally isolated from P

ChemicalCAS125600-53-5MW477.6FormulaC28H35N3O4
CAS number
125600-53-5
Molecular weight
477.6
Formula
C28H35N3O4
Solubility
Soluble in DMSO
InChIKey
XNXXZRQPTAQILV-PYGUQFFJSA-N
Catalogue number
GC44564
Brand
GLPBIO
Computed properties PubChem CID 9898611 · XLogP 2.9 · TPSA 71.1 Ų · H-bond donors 1
XLogP
2.9
TPSA
71.1 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
0
Heavy atoms
35

SMILES C[C@H]1CCN2[C@]13C[C@@H]4[C@](C2)(C[C@@]5(C4(C)C)C6=C(C7=C(C=C6)OC(C=CO7)(C)C)NC5=O)N(C3=O)C

Computed descriptors from PubChem (CID 9898611), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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