TOMATINE

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For Research Use Only.

Size	Price	Stock	Quantity
20 mg	$298	In stock

Category

Alkaloids

Cat.No.

NP0027

CAS

17406-45-0

Product Name

TOMATINE

Structure

Product Details

Description

Tomatine is a glycoalkaloid extracted from the fruits of Solanum lycopersicum.

Synonyms

Lycopersicin; (3-b,5a,22b25S)-Spirosolan-3-yl O-b-D-glucopyranosyl-(1-2)-O-[b-D-xylopyranosyl-(1-3)]-O-b-D-glucopyranosyl-(1-4)-b-D-galactopyranoside

IUPAC Name

(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'S,6S,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-piperidine]-16-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Molecular Weight

1034.19

Molecular Formula

C50H83NO21

Canonical SMILES

CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)C)C)C)NC1

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

InChIKey

REJLGAUYTKNVJM-SGXCCWNXSA-N

Boiling Point

806.69°C (rough estimate)

Melting Point

300-305°C

Purity

>98%

Density

1.48±0.1 g/cm3 (20°C 760 Torr)

Solubility

DMSO (Slightly), Methanol (Slightly, Heated), Pyridine (Slightly)

Appearance

White powder

Storage

2-8°C

Alpha

D20 -18° (c = 0.55 in pyridine)

Color

white

Definition

ChEBI: A steroid alkaloid that is tomatidine in which the hydroxy group at position 3 is linked to lycotetraose, a tetrasaccharide composed of two units of D-glucose, one unit of D-xylose, and one unit of D-galac
ose.

EINECS

241-429-5

Form

Powder

Hazard Codes

HS Code

29329990

Merck

14,9545

Packaging

20 mg

pKa

12.77±0.70(Predicted)

Refractive Index

1.5280 (estimate)

RIDADR

1544

Risk Statements

23/25-22

RTECS

XW1050000

Safety Statements

45-24/25-22

Toxicity

LD orally in rats: 900-1000 mg/kg (Wilson)

Uses

Precipitating agent for steroids.

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