ALPHA-CHACONINE

For Research Use Only.
Category
Alkaloids
Cat.No.
NP0053
CAS
20562-03-2
Product Name
ALPHA-CHACONINE
Structure

Product Details

Description
ALPHA-CHACONINE is a natural alkaloid compound found in certain plants showing promise in the research of various diseases, including cancer, due to its ability to inhibit tumor cell growth.
Synonyms
(3b)-Solanid-5-en-3-yl O-6-deoxy-a-L-mannopyranosyl-(1-2)-O-(6-deoxy-a-L-mannopyranosyl-(1-4))-b-D-glucopyranoside
IUPAC Name
(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[[(1S,2S,7S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxy]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Molecular Weight
852.06
Molecular Formula
C45H73NO14
Canonical SMILES
C[C@@]1([C@]([C@@H]2C)([H])[C@](N3[C@]2([H])CC[C@H](C)C3)([H])C4)[C@]4([H])[C@@](CC=C5[C@@]6(CC[C@H](O[C@@](O[C@H](CO)[C@@H](O[C@@](O[C@@H](C)[C@H](O)[C@H]7O)([H])[C@@H]7O)[C@@H]8O)([H])[C@@H]8O[C@@](O[C@@H](C)[C@H](O)[C@H]9O)([H])[C@@H]9O)C5)C)([H])[C@]6
InChI
InChI=1S/C45H73NO14/c1-19-7-10-28-20(2)31-29(46(28)17-19)16-27-25-9-8-23-15-24(11-13-44(23,5)26(25)12-14-45(27,31)6)57-43-40(60-42-37(53)35(51)33(49)22(4)56-42)38(54)39(30(18-47)58-43)59-41-36(52)34(50)32(48)21(3)55-41/h8,19-22,24-43,47-54H,7,9-18H2,1-6H3/t19-,20+,21-,22-,24-,25+,26-,27-,28+,29-,30+,31-,32-,33-,34+,35+,36+,37+,38-,39+,40+,41-,42-,43+,44-,45-/m0/s1
InChIKey
TYNQWWGVEGFKRU-AJDPQWBVSA-N
Melting Point
228-236 °C
Density
1.37±0.1 g/cm3(Predicted)
Solubility
pyridine: 10 mg/mL, clear, very faintly yellow
Storage
-20°C
Color
Off-white to brown
F
10
Form
Crystalline Mass, Crystals, Flakes or Powder
Hazard Class
6.1(b)
Hazard Codes
Xn
NACRES
NA.24
Packing Groups
III
RIDADR
1544
Risk Statements
63
RTECS
FL6700000
Safety Statements
22-36/37
Stability
Hygroscopic
Uses
α-Chaconine is a glycoalkaloid displaying nerve toxin activity. Potential antifungal activity.
WGK Germany
3
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