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Catalog Number | ACM20562021-1 |
CAS Number | 20562-02-1 |
Synonyms | α-Solanine |
Molecular Weight | 868.1 |
InChI | InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/t19-,20+,21-,23-,24+,25-,26-,27+,28-,29+,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,40+,41-,42-,43+,44-,45-/m0/s1 |
InChI Key | ZGVSETXHNHBTRK-UDJLNJFBSA-N |
Melting Point | 285 °C |
Purity | 95%+ |
Complexity | 1590 |
Covalently-Bonded Unit Count | 1 |
Defined Atom Stereocenter Count | 26 |
Exact Mass | 867.49802062 |
Heavy Atom Count | 61 |
Hydrogen Bond Acceptor Count | 16 |
Hydrogen Bond Donor Count | 9 |
Isomeric SMILES | C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H](N2C1)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C |
Monoisotopic Mass | 867.49802062 |
PhysicalState | Powder |
Rotatable Bond Count | 8 |
Topological Polar Surface Area | 241 Ų |
What is the chemical formula for alpha-Solanine?
The chemical formula for alpha-Solanine is C45H73NO15.
What is the melting point of alpha-Solanine?
The melting point of alpha-Solanine is 285℃.
In which Solanum species is alpha-Solanine present?
Alpha-Solanine is present in several Solanum species including S. nigrum, S. lycopersicum (tomato), and S. tuberosum (potato).
What are the potential benefits of alpha-Solanine?
It has been revealed that alpha-Solanine possesses potential chemotherapeutic action against cancers in organs such as lung, breast, esophagus, prostate, and liver, as well as acute lymphocytic leukemia. It also has potential anti-inflammatory properties.
What are the side effects of consuming excessive alpha-Solanine?
Excessive consumption of alpha-Solanine can lead to convulsions, coma, and even death. Animal studies have shown that alpha-Solanine can damage the reproductive system.
How is alpha-Solanine purified?
Alpha-Solanine can be recrystallized from EtOH, 85% aqueous EtOH, MeOH, or aqueous MeOH as a dihydrate. It has insecticidal properties.
What is the hazard classification of alpha-Solanine?
Alpha-Solanine is classified as a poison.
What are the solubility properties of alpha-Solanine?
Alpha-Solanine is readily soluble in hot EtOH, sparingly soluble in H20, and virtually insoluble in CHCl3 or Et2O.
What is the storage temperature recommended for alpha-Solanine?
The recommended storage temperature for alpha-Solanine is -20°C.
How does alpha-Solanine affect the body when consumed in large doses?
When consumed in large doses, alpha-Solanine can lead to symptoms such as nausea, headache, emesis, gastritis, parenchymatous nephritis, haemoglobinuria, paralysis of the central nervous system, and cardiac arrest.
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