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deoxyaconitine

Names

[ CAS No. ]:
3175-95-9

[ Name ]:
deoxyaconitine

[Synonym ]:
Aconitine,deoxy
(1α,6α,14α,15α,16β)-8-Acetoxy-20-ethyl-13,15-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl benzoate
deoxyaconitine
Aconitane-8,13,14,15-tetrol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 8-acetate 14-benzoate, (1α,6α,14α,15α,16β)-

Biological Activity

[Description]:

3-Deoxyaconitine is a diterpenoid alkaloid, isolated from Aconitum Carmichaeli Debx.[1].

[Related Catalog]:

Research Areas >> Others
Signaling Pathways >> Others >> Others

[References]

[1]. Gao F, et al. 3-Deoxy-aconitine from the root of Aconitum Carmichaeli Debx. Acta Crystallogr Sect E Struct Rep Online. 2010 May 15;66(Pt 6):o1342.

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
680.6±55.0 °C at 760 mmHg

[ Melting Point ]:
177-180℃

[ Molecular Formula ]:
C34H47NO10

[ Molecular Weight ]:
629.738

[ Flash Point ]:
365.4±31.5 °C

[ Exact Mass ]:
629.320007

[ PSA ]:
133.22000

[ LogP ]:
1.45

[ Vapour Pressure ]:
0.0±2.2 mmHg at 25°C

[ Index of Refraction ]:
1.603

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AR5569100
CHEMICAL NAME :
Aconitane-8,13,14,15-tetrol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 8- acetate 14-benzoate, (1-alpha,3-alpha,6-alpha,14-alpha,15-alpha,16-beta)-
CAS REGISTRY NUMBER :
3175-95-9
LAST UPDATED :
199712
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C34-H47-N-O10
MOLECULAR WEIGHT :
629.82

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1900 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CYLPDN Zhongguo Yaoli Xuebao. Acta Pharmacologica Sinica. Chinese Journal of Pharmacology. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.1- 1980- Volume(issue)/page/year: 2,170,1981

Related Compounds

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