deoxyaconitine

Names

[ 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