BGC > Produktsuche > Tomatine | 17406-45-0

Molecular Formula: C50H83NO21
Molecular Weight: 1034.19
Hazard Symbols: Xn
UN Number: 1544
HS Code: 29329990

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

• Molecular Weight:1034.19
• Boiling Point:806.69°C (rough estimate)
• Melting Point:300-305°C
• Purity:>98%

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
Solubility:
DMSO (Slightly), Methanol (Slightly, Heated), Pyridine (Slightly)
Appearance:
White powder
Storage: 2-8°C
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