CAS 97169-13-6

β,β-Caroten-4-one, 3,3′,4′-trihydroxy-, (3S,3′S,4′R)-

Description:

β,β-Caroten-4-one, 3,3′,4′-trihydroxy-, (3S,3′S,4′R)-, with CAS number 97169-13-6, is a carotenoid compound characterized by its polyene structure, which includes multiple conjugated double bonds contributing to its vibrant color and potential antioxidant properties. This compound features three hydroxyl (-OH) groups, which enhance its solubility in polar solvents and may influence its biological activity. The stereochemistry indicated by (3S,3′S,4′R) suggests specific spatial arrangements of the atoms, which can affect the compound's reactivity and interaction with biological systems. β,β-Caroten-4-one derivatives are often studied for their roles in plant physiology, particularly in photosynthesis and photoprotection, as well as their potential health benefits in human nutrition, including their role as precursors to vitamin A. The presence of hydroxyl groups may also enhance its ability to scavenge free radicals, making it of interest in the field of nutraceuticals and functional foods. Overall, this compound exemplifies the complex interplay between structure and function in carotenoids.

Formula: C₄₀H₅₄O₄

InChI: InChI=1S/C40H54O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-37,41-43H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t35-,36-,37+/m0/s1

InChI key: InChIKey=DNKQGUYVWUAYIE-KRJZFOBGSA-N

SMILES: C(=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=1C(C)(C)C[C@H](O)C(=O)C1C)\C)\C)/C)/C)\C=2C(C)(C)C[C@H](O)[C@H](O)C2C

Synonyms:

• β,β-Caroten-4-one, 3,3′,4′-trihydroxy-, (3S,3′S,4′R)-
• (3S,3′S,4′R)-Idoxanthin

(3S,3'S,4'R)-Idoxanthin

Controlled Product

CAS: 97169-13-6

Formula: C₄₀H₅₄O₄

Color and Shape: Neat

Molecular weight: 598.854

Ref: TR-I192730