ALPHA-CHACONINE

Inquiry

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