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4491-19-4

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4491-19-4 Structure

4491-19-4 Structure
IdentificationBack Directory
[Name]

INDACONITINE
[CAS]

4491-19-4
[Synonyms]

Indaconitin
15-Deoxyaconitine
Indaconitine (>
Indaconitine (>90%)
Acetylbenzoylpseudaconine
Indaconitine (15-Deoxyaconitine)
(16S)-20-Ethyl-1α,6α,16-trimethoxy-4-(methoxymethyl)aconitane-3α,8,13,14α-tetrol 8-acetate 14-benzoate
Aconitane-3,8,13,14-tetrol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 8-acetate 14-benzoate, (1α,3α,6α,14α,16β)-
(1alpha,3alpha,6alpha,14alpha,16beta)-20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-3,8,13,14-tetrol 8-acetate 14-benzoate
[Molecular Formula]

C34H47NO10
[MDL Number]

MFCD01673508
[MOL File]

4491-19-4.mol
[Molecular Weight]

629.75
Chemical PropertiesBack Directory
[Melting point ]

193-195℃
[alpha ]

D21 +18.28° (c = 2.18 in alc)
[Boiling point ]

666.59°C (rough estimate)
[density ]

1.33
[refractive index ]

1.5960 (estimate)
[pka]

12.82±0.70(Predicted)
Hazard InformationBack Directory
[Definition]

ChEBI: Indaconitine is a diterpenoid.
Spectrum DetailBack Directory
[Spectrum Detail]

INDACONITINE(4491-19-4)1HNMR
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