Tomatine

Catalog Number	ACM17406450
CAS Number	17406-45-0
Synonyms	Lycopersicin
Molecular Weight	1034.2
InChI	InChI=1S/C50H83NO21/c1-20-7-12-50(51-15-20)21(2)32-28(72-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)65-45-40(63)37(60)41(31(18-54)68-45)69-47-43(71-46-39(62)36(59)34(57)29(16-52)66-46)42(35(58)30(17-53)67-47)70-44-38(61)33(56)27(55)19-64-44/h20-47,51-63H,5-19H2,1-4H3/t20-,21-,22-,23-,24+,25-,26-,27+,28-,29+,30+,31+,32-,33-,34+,35+,36-,37+,38+,39+,40+,41-,42-,43+,44-,45+,46-,47-,48-,49-,50-/m0/s1
InChI Key	REJLGAUYTKNVJM-SGXCCWNXSA-N
Melting Point	300-305 °C
Purity	95%+
Complexity	1840
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	31
Exact Mass	1033.54575866
Heavy Atom Count	72
Hydrogen Bond Acceptor Count	22
Hydrogen Bond Donor Count	13
Isomeric SMILES	C[C@H]1CC[C@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)C)C)C)NC1
Monoisotopic Mass	1033.54575866
PhysicalState	Solid
Rotatable Bond Count	11
Topological Polar Surface Area	338 Ų

Custom Q&A

What is the chemical formula for Tomatine?

The chemical formula for Tomatine is C50H83NO21.

What are the synonyms for Tomatine?

The synonyms for Tomatine include TOMATIN, a''-tomatidine, alpha-tomatine, and LYCOPERISCIN.

What are the health benefits of Tomatine?

Tomatine is known to have fungicidal, antimicrobial, and insecticidal properties.

What are the symptoms of Tomatine toxicity in animals?

The symptoms of acute Tomatine poisoning in animals are similar to poisoning by solanine, and include vomiting, diarrhea, abdominal pain, drowsiness, confusion, weakness, and depression.

How is Tomatine used in the scientific community?

Tomatine is used as an antiproliferative agent in the suppression of breast adenocarcinoma cells.

What is the chemical property of Tomatine when it is in solid form?

Tomatine is described as a faintly beige powder.

What is the purification method for Tomatine?

Tomatine is recrystallized from MeOH, EtOH, aqueous EtOH, or dioxane/NH3.

What is the boiling point of Tomatine?

The boiling point of Tomatine is estimated to be around 806.69°C.

How is Tomatine stored?

Tomatine should be stored at a temperature between 2-8°C.

Can the consumption of tomatoes cause any toxic or genotoxic effects due to Tomatine?

There is no evidence that consumption of tomatoes, which contain Tomatine, causes acute toxic or genotoxic effects in humans.

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