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20562-02-1

20562-02-1 structural image
Product Name: alpha-Solanine
Formula: C45H73NO15
Synonyms: alpha-Solanine
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid; [Merck Index] White odorless solid; [MSDSonline]
Color/Form SLENDER NEEDLES FROM 85% ALC
Solubility DECOMP ABOUT 212 °C; USUALLY AMORPHOUS & GUMMY BUT HAS BEEN CRYSTALLIZED; SOL IN WATER /SOLANINE HYDROCHLORIDE/
Optical Rotation SPECIFIC OPTICAL ROTATION: -60 DEG @ 20 °C/D (PYRIDINE)
Dissociation Constants PK @ 15 °C= 6.66; K= 2.2X10-7
Other Experimental Properties BROWNS AND SINTERS ABOUT 190 °C; DECOMP ABOUT 285 °C
Chemical Classes Biological Agents -> Plant Toxins

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 868.1 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 9
Hydrogen Bond Acceptor Count 16
Rotatable Bond Count 8
Exact Mass 867.49802062 g/mol
Monoisotopic Mass 867.49802062 g/mol
Topological Polar Surface Area 241 Ų
Heavy Atom Count 61
Formal Charge 0
Complexity 1590
Isotope Atom Count 0
Defined Atom Stereocenter Count 26
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Solanine is a glycoalkaloid poison found in species of the nightshade family (Solanaceae), such as the potato (Solanum tuberosum). It is a trisccharide derivative of solanidine [(22beta)-solanid-5-en-3beta-ol]. It has a role as a phytotoxin, an antineoplastic agent, an apoptosis inducer and a plant metabolite. It is a steroid saponin, a trisaccharide derivative, an organic heterohexacyclic compound and a glycoalkaloid. It is functionally related to a solanidine.