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ChemicalBook--->CAS DataBase List--->3175-95-9

3175-95-9

3175-95-9 Structure

3175-95-9 Structure
IdentificationBack Directory
[Name]

deoxyaconitine
[CAS]

3175-95-9
[Synonyms]

Aconitine, deoxy-
Deoxyaconitine, 3-
Aconitane-8,13,14,15-tetrol,20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 8-acetate 14-benzoate, (1a,6a,14a,15a,16b)-
Aconitane-8,13,14,15-tetrol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 8-acetate 14-benzoate, (1α,6α,14α,15α,16β)-
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)-
(1alpha,6alpha,10alpha,13alpha,14alpha,15alpha,16beta,17xi)-8-(acetyloxy)-20-ethyl-13,15-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl benzoate
[Molecular Formula]

C34H47NO10
[MDL Number]

MFCD01673511
[MOL File]

3175-95-9.mol
[Molecular Weight]

629.74
Chemical PropertiesBack Directory
[Melting point ]

177-180℃
[Boiling point ]

680.6±55.0 °C(Predicted)
[density ]

1.33±0.1 g/cm3 (20 ºC 760 Torr)
[storage temp. ]

Store at -20°C
[solubility ]

DMSO: Soluble
[form ]

A solid
[pka]

12.21±0.70(Predicted)
[color ]

White to off-white
Hazard InformationBack Directory
[Chemical Properties]

White crystals, soluble in methanol, ethanol, DMSO and other organic solvents, derived from aconite.
[Uses]

Deoxyaconitine has analgesic effect.
[Definition]

ChEBI: Deoxyaconitine is a diterpene alkaloid with formula C34H47NO10 that is isolated from several Aconitum species. It has a role as a plant metabolite. It is a benzoate ester, an acetate ester, a bridged compound, a diol, a diterpene alkaloid, an organic heteropolycyclic compound, a polyether, a secondary alcohol and a tertiary amino compound. It derives from a hydride of an aconitane.
[Biological Activity]

Deoxyaconitine is a diterpenoid alkaloid isolated from the roots of Aconitum Carmichaeli Debx.
[storage]

Store at -20°C
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