CAS 71199-29-6

Neobetanin

Description:

Neobetanin, with the CAS number 71199-29-6, is a naturally occurring compound classified as a betaine derivative. It is primarily known for its role in various biological processes and its potential applications in agriculture and food industries. Neobetanin is characterized by its zwitterionic structure, which allows it to act as an osmoprotectant, helping organisms to maintain cellular integrity under stress conditions such as high salinity or drought. This compound is soluble in water, which enhances its bioavailability and effectiveness in biological systems. Additionally, neobetanin exhibits antioxidant properties, contributing to its potential health benefits. Its presence in certain plants suggests a role in plant metabolism and stress response. Research into neobetanin is ongoing, focusing on its applications in enhancing crop resilience and its potential therapeutic effects in human health. Overall, neobetanin is a compound of interest due to its multifunctional properties and its significance in both ecological and health-related contexts.

Formula: C₂₄H₂₄N₂O₁₃

InChI: InChI=1S/C24H24N2O13/c27-8-17-18(29)19(30)20(31)24(39-17)38-16-6-10-5-14(23(36)37)26(13(10)7-15(16)28)2-1-9-3-11(21(32)33)25-12(4-9)22(34)35/h1-4,6-7,14,17-20,24,27-31H,5,8H2,(H,32,33)(H,34,35)(H,36,37)/b2-1+/t14-,17+,18+,19-,20+,24+/m0/s1

InChI key: InChIKey=JGRJFJIJVQCUMW-HQSRNOONSA-N

SMILES: C(=C/C=1C=C(C(O)=O)N=C(C(O)=O)C1)\N2C=3C(C[C@H]2C(O)=O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C(O)C3

Synonyms:

• Neobetanin
• 2,6-Pyridinedicarboxylic acid, 4-[(1E)-2-[(2S)-2-carboxy-5-(β-D-glucopyranosyloxy)-2,3-dihydro-6-hydroxy-1H-indol-1-yl]ethenyl]-
• Neobetanine
• 2,6-Pyridinedicarboxylic acid, 4-[2-[2-carboxy-5-(β-D-glucopyranosyloxy)-2,3-dihydro-6-hydroxy-1H-indol-1-yl]ethenyl]-, [S-(E)]-
• 4-[(1E)-2-[(2S)-2-Carboxy-5-(β-D-glucopyranosyloxy)-2,3-dihydro-6-hydroxy-1H-indol-1-yl]ethenyl]-2,6-pyridinedicarboxylic acid

Neobetanin

CAS: 71199-29-6

Neobetanin is a naturally occurring pigment, which is a type of betalain compound derived primarily from beetroot (Beta vulgaris). As a phytochemical, its molecular structure possesses characteristic conjugated double bonds that confer both distinct coloration and free radical scavenging abilities.

Formula: C₂₄H₂₄N₂O₁₃

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 548.45 g/mol

Ref: 3D-XN180400