Neoline

Catalog	BBC466262
CAS	466-26-2
Structure
Synonyms	Bullatine B
IUPAC Name	11-Ethyl-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16-triol
Molecular Weight	437.57
Molecular Formula	C24H39NO6
Canonical SMILES	CCN1CC2(CCC(C34C2C(C(C31)C5(CC(C6CC4C5C6O)OC)O)OC)O)COC
InChI	InChI=1S/C24H39NO6/c1-5-25-10-22(11-29-2)7-6-15(26)24-13-8-12-14(30-3)9-23(28,16(13)18(12)27)17(21(24)25)19(31-4)20(22)24/h12-21,26-28H,5-11H2,1-4H3
InChI Key	XRARAKHBJHWUHW-UHFFFAOYSA-N
Boiling Point	578.3±50.0 °C
Melting Point	153-154 °C
Purity	98%
Density	1.31±0.1 g/ml
Appearance	Powder
pKa	13.32±0.70