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Chemical structure of Brevicompanine B

GC40824

Brevicompanine B

Also known as 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

Brevicompanine B is a fungal metabolite originally isolated from P

ChemicalCAS215121-47-4MW367.5FormulaC22H29N3O2
CAS number
215121-47-4
Molecular weight
367.5
Formula
C22H29N3O2
Solubility
Soluble in DMSO
InChIKey
HAXPBJUEOMQIJN-UHFFFAOYSA-N
Catalogue number
GC40824
Brand
GLPBIO
Computed properties PubChem CID 51340320 · XLogP 4.4 · TPSA 61.4 Ų · H-bond donors 2
XLogP
4.4
TPSA
61.4 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
27

SMILES CC(C)CC1C(=O)N2C(CC3(C2NC4=CC=CC=C43)C(C)(C)C=C)C(=O)N1

Computed descriptors from PubChem (CID 51340320), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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