TOMATIDINE

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°C
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
Risk Statements
23/25
Safety Statements
1-45
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