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Chemical structure of Verrucofortine

GC41385

Verrucofortine

Also known as (1R,4S,7S,9R)-16-acetyl-9-(2-methylbut-3-en-2-yl)-4-(2-methylpropyl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione

Verrucofortine is a fungal metabolite originally isolated from P

ChemicalCAS113706-21-1MW409.5FormulaC24H31N3O3
CAS number
113706-21-1
Molecular weight
409.5
Formula
C24H31N3O3
Solubility
Soluble in DMSO
InChIKey
BMRZKNPRSPWNNW-UNBWHIKDSA-N
Catalogue number
GC41385
Brand
GLPBIO
Computed properties PubChem CID 119172 · XLogP 3.8 · TPSA 69.7 Ų · H-bond donors 1
XLogP
3.8
TPSA
69.7 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
30

SMILES CC(C)C[C@H]1C(=O)N2[C@@H](C[C@@]3([C@H]2N(C4=CC=CC=C43)C(=O)C)C(C)(C)C=C)C(=O)N1

Computed descriptors from PubChem (CID 119172), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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