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delphinine

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delphinine Basic information

Product Name:
delphinine
Synonyms:
  • delphinine
  • (16S)-1α,6α,16-Trimethoxy-4-(methoxymethyl)-20-methylaconitane-8,13,14α-triol 8-acetate 14-benzoate
  • Aconitane-8,13,14-triol, 1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 8-acetate 14-benzoate, (1α,6α,14α,16β)-
  • Aconitane-8,13,14-triol,1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 8-acetate 14-benzoate, (1a,6a,14a,16b)-
CAS:
561-07-9
MF:
C33H45NO9
MW:
599.72
EINECS:
209-214-0
Mol File:
561-07-9.mol
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delphinine Chemical Properties

Melting point:
197.5-199°
alpha 
D20 +25° (ethanol)
Boiling point:
650.15°C (rough estimate)
Density 
1.1925 (rough estimate)
refractive index 
1.5960 (estimate)
pka
12.86±0.70(Predicted)
Water Solubility 
20mg/L(25 ºC)
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delphinine Usage And Synthesis

Purification Methods

It crystallises from EtOH with 198-200o uncorrected (187.5-188.5o) and from Et2O or Me2CO. Its solubility at ~25o in EtOH, CHCl3 and Et2O is 4%, 5% and 10% respectively. In c 1, EtOH, it has [] 20 +22o changing to +19o in 4 hours. [Markwood J Am Chem Soc 16 931 1927.] The hydrochloride has m 214o(dec) from MeOH or MeOH/Et2O. [Weissner et al. Can J Chem 50 1925 1972, Jacobs & Craig J Biol Chem 127 363 1939, Beilstein 21 III/IV 2867.]

delphinineSupplier

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