ChemicalBook--->CAS DataBase List--->79592-91-9

79592-91-9

79592-91-9 Structure

79592-91-9 Structure
IdentificationBack Directory
[Name]

CRASSICAULINE A
[CAS]

79592-91-9
[Synonyms]

Crassicaulin A
Crassicauline I
Crassicayline A
3-Deoxyyunaconitine
CRASSICAULINE A USP/EP/BP
Aconitane-8,13,14-triol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 8-acetate 14-(4-methoxybenzoate), (1α,6α,14α,16β)-
[Molecular Formula]

C35H49NO10
[MDL Number]

MFCD00238566
[MOL File]

79592-91-9.mol
[Molecular Weight]

643.76
Chemical PropertiesBack Directory
[Melting point ]

166-168℃
[density ]

1.30
[storage temp. ]

Refrigerator
[solubility ]

Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[color ]

White to Off-White
[InChIKey]

GAZDXIGXYWVWQX-YSDKHITCNA-N
[SMILES]

C1[C@H](OC)C23C4C([C@@]5(OC(C)=O)C[C@H](OC)[C@@]6(CC2C5[C@@H]6OC(=O)c2ccc(OC)cc2)O)[C@H](OC)C3[C@](COC)(CN4CC)C1 |&1:1,7,13,16,20,33,37,r|
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H332-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
Hazard InformationBack Directory
[Chemical Properties]

White Solid
[Uses]

3-Deoxyyunaconitine is a metabolite of Aconitine (A189875), a neurotoxin that binds, activates tetrodotoxin-sensitive Na+ channels and prolongs the opening of the sodium-ion channel by suppressing con formational changes.
Spectrum DetailBack Directory
[Spectrum Detail]

CRASSICAULINE A(79592-91-9)1HNMR
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