Pungiolide A

Catalog	BBC130430976
CAS	130430-97-6
IUPAC Name	1-[2-[[3-(Trifluoromethyl)phenyl]methoxy]ethyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
Molecular Weight	526.57
Molecular Formula	C29H34O9
Canonical SMILES	C1CN(CCN1CCOCC2=CC(=CC=C2)C(F)(F)F)CC3=CC(=CC=C3)C(F)(F)F
InChI	InChI=1S/C22H24F6N2O/c23-21(24,25)19-5-1-3-17(13-19)15-30-9-7-29(8-10-30)11-12-31-16-18-4-2-6-20(14-18)22(26,27)28/h1-6,13-14H,7-12,15-16H2
InChI Key	UDKDJEBYTLAKEE-UHFFFAOYSA-N
Boiling Point	770.7±60.0 °C
Purity	98%
Density	1.36±0.1 g/ml
Appearance	Powder
pKa	12.65±0.70