CAS 15121-53-6

Isobetanin

Description:

Isobetanin, with the CAS number 15121-53-6, is a naturally occurring compound classified as a betaine, which is a type of zwitterionic molecule. It is primarily derived from the sugar beet and is known for its role in osmoregulation and as a methyl donor in biological systems. Isobetanin exhibits a stable structure, characterized by a quaternary ammonium group and a carboxylate group, which contribute to its solubility in water. This compound is often studied for its potential health benefits, including its role in reducing homocysteine levels and supporting liver function. Additionally, isobetanin has been investigated for its antioxidant properties, which may help protect cells from oxidative stress. Its applications extend to the food and cosmetic industries, where it is valued for its moisturizing and conditioning effects. Overall, isobetanin is recognized for its multifunctional properties and its significance in both biological and industrial contexts.

Formula: C₂₄H₂₆N₂O₁₃

InChI: InChI=1S/C24H26N2O13/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/h1-3,6-7,12,14,17-20,24,27-31H,4-5,8H2,(H,32,33)(H,34,35)(H,36,37)/t12-,14+,17-,18-,19+,20-,24-/m1/s1

InChI key: InChIKey=CTMLKIKAUFEMLE-RYGANQNKSA-N

SMILES: C(=CC=1C[C@H](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:

• (2R)-4-[2-[(2S)-2-Carboxy-5-(β-D-glucopyranosyloxy)-2,3-dihydro-6-hydroxy-1H-indol-1-yl]ethenyl]-2,3-dihydro-2,6-pyridinedicarboxylic acid
• Isobetanin
• 2,6-Pyridinedicarboxylic acid, 4-[2-[(2S)-2-carboxy-5-(β-D-glucopyranosyloxy)-2,3-dihydro-6-hydroxy-1H-indol-1-yl]ethenyl]-2,3-dihydro-, (2R)-
• 2,6-Pyridinedicarboxylic acid, 4-[2-[2-carboxy-5-(β-D-glucopyranosyloxy)-2,3-dihydro-6-hydroxy-1H-indol-1-yl]ethenyl]-2,3-dihydro-, [S-(R*,S*)]-
• Isobetanidin 5-β-D-glucopyranoside

Isobetanin

CAS: 15121-53-6

Isobetanin is a betalain pigment, which is a natural compound derived from the red beetroot (Beta vulgaris). As a member of the betalain family, it specifically belongs to the betacyanin subgroup, which imparts red-violet coloration. Its mode of action centers on its ability to act as an antioxidant, effectively scavenging free radicals and protecting cells from oxidative damage.

Formula: C₂₄H₂₆N₂O₁₃

Purity: Min. 95%

Molecular weight: 550.47 g/mol

Ref: 3D-XI170350

Isobetanin

CAS: 15121-53-6

Isobetanin is a betacyanin that has been shown to enhance vitexin-2-O-xyloside mediated inhibition of proliferation of T24 bladder cancer cells.

Formula: C₂₄H₂₆N₂O₁₃

Color and Shape: Solid

Molecular weight: 550.47

Ref: TM-T70512