SOLASODINE manufacturers and suppliers

SOLASODINE suppliers

Properties

Melting point:: 200-202°

alpha: D25 -98° (c = 0.14 in methanol); D -113° (CHCl3)

Boiling point:: 532.75°C (rough estimate)

Density: 1.0159 (rough estimate)

refractive index: 1.6400 (estimate)

storage temp.: 2-8°C

solubility: DMSO: soluble0.5mg/mL, clear (warmed)

pka: pKb 6.30(at 25℃)

form: powder

color: white to beige

optical activity: [α]/D -88 to -98°, c = 0.2 in methanol

InChIKey: KOZCINYDCJVLDW-GCGBSLFCSA-N

SMILES: [C@@]12(NC[C@H](C)CC1)O[C@@]1([H])C[C@@]3([H])[C@]4([H])CC=C5C[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@@H]2C |&1:0,3,8,11,13,19,23,25,29,31,33,r|

CAS DataBase Reference: 126-17-0(CAS DataBase Reference)

NIST Chemistry Reference: Solasodine(126-17-0)

Safety Information

Safety Statements: 22-24/25

WGK Germany: WGK 3

RTECS: WF1300000

Storage Class: 11 - Combustible Solids

Hazardous Substances Data: 126-17-0(Hazardous Substances Data)

Use

Solasodine crystallises (as monohydrate) from MeOH as lustrous plates (on heating, the plates change to needles as they melt and resolidify in needles), or aqueous 80% EtOH, and sublimes at high vacuum. After recrystallisation from H2O, m 198-199o, then from Me2CO/H2O, m 199-201o, it has [] D 22 -109.3o (c 0.581, CHCl3). On TLC with silica gel G (*C6H6/absolute EtOH, 8:2) it has RF 0.45. IR (KBr): max at 10.3, 10.4, 11.2, 11.5 (azaoxaspirane bands). [Schreiber & Rnsch Tetrahedron 20 1939 1964, Uhle J Org Chem 27 656 1962, Kessar et al. Tetrahedron 27 2153 1971, Beilstein 27 III/IV 2000.]

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