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ChemicalBook--->CAS DataBase List--->24394-09-0

24394-09-0

24394-09-0 Structure

24394-09-0 Structure
IdentificationBack Directory
[Name]

CNICIN
[CAS]

24394-09-0
[Synonyms]

CNICIN
cnicine
CYNISIN
CENTAURIN
Aids104627
Aids-104627
-lactone,8-(3,4-dihydroxy-2-methylenebutyrate)
2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxocyclodeca[b]furan-4-yl 3,4-dihydroxy-2-methylenebutyrate
3,4-Dihydroxy-2-methylenebutanoic acid 2,3,3A,4,5,8,9,11A-octahydro-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxocyclodeca[B]furan-4-yl ester
(3R)-3,4-Dihydroxy-2-methylenebutyric acid (3aR,4S,6E,10Z,11aR)-2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester
Butanoic acid, 3,4-dihydroxy-2-methylene-, (3aR,4S,6E,10Z,11aR)-2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester, (3R)-
[EINECS(EC#)]

246-221-8
[Molecular Formula]

C20H26O7
[MDL Number]

MFCD00075707
[MOL File]

24394-09-0.mol
[Molecular Weight]

378.42
Chemical PropertiesBack Directory
[Melting point ]

142-143°C
[alpha ]

D20 +158° (c = 2.3 in ethanol)
[Boiling point ]

622.3±55.0 °C(Predicted)
[density ]

1.27±0.1 g/cm3 (20 ºC 760 Torr)
[storage temp. ]

2-8°C
[form ]

Solid
[pka]

12.77±0.20(Predicted)
[color ]

White to off-white
[LogP]

2.320 (est)
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P264-P280-P304+P340+P312-P337+P313-P403+P233
[Safety Statements ]

22-24/25
[Toxicity]

mouse,LD50,oral,452mg/kg (452mg/kg),Planta Medica. Vol. 53, Pg. 247, 1987.
Hazard InformationBack Directory
[Uses]

(+)-Cnicin is a useful research chemical exhibiting antifungal activity of sesquiterpene lactones from Centaurea species.
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