TOMATIDINE

Inquiry

For Research Use Only.

Category

Alkaloids

Cat.No.

NP0484

CAS

77-59-8

Product Name

TOMATIDINE

Structure

Product Details

Description

Tomatidine is an alkaloid isolated from Lycopersicon Esculentum Mill with antibiotic and anti-inflammatory activities.

Synonyms

Tomatidin

Molecular Weight

415.65

Molecular Formula

C27H45NO2

Canonical SMILES

CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)C)NC1

InChI

InChI=1S/C27H45NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28-29H,5-15H2,1-4H3/t16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1

InChIKey

XYNPYHXGMWJBLV-VXPJTDKGSA-N

Boiling Point

534.2°C (rough estimate)

Melting Point

210.5℃

Purity

98%

Density

1.0048 g/cm3(rough estimate)

Solubility

DMSO : 2.86 mg/mL (6.88 mM; Need ultrasonic)

Appearance

Powder

Alpha

D25 +8° (chloroform)

Color

Yellow

Definition

Tomatidine is the aglycone derivative of tomatine. Tomatidine belongs to the chemical family known as Spirosolanes and Derivatives. These are steroidal alkaloids whose structure contains a spirosolane skeleton. Tomatine (the glycosylated form of tomatidine) is a mildly toxic glycoalkaloid or glycospirosolane found in the stems and leaves of tomato plants as well as in the fruit of unripened (green) tomatoes (up to 500 mg/kg).

EINECS

201-040-3

Form

Powder

MDL

MFCD00075644

pKa

15.14±0.70(Predicted)

Refractive Index

1.6840 (estimate)

RIDADR

1544