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(3beta,16beta,21beta,22alpha)-28-Acetoxy-16,22,23-trihydroxy-21-{[(2E)-2-methyl-2-butenoyl]oxy}olean-12-en-3-yl beta-D-glucopyranosiduronic acid(CAS: 122168-40-5)

(3beta,16beta,21beta,22alpha)-28-Acetoxy-16,22,23-trihydroxy-21-{[(2E)-2-methyl-2-butenoyl]oxy}olean-12-en-3-yl beta-D-glucopyranosiduronic acid
CAS Number

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Basic Information

Molecular Formula
C43H66O14
Molecular Weight
806.99 g/mol
Physical State
Powder

Chemical Identifiers

SMILES
CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)O)C)COC(=O)C)O
InChIKey
VEFSVJGWJQPWFS-ZXKKMYOJSA-N

Database References

MDL Number
MFCD12031624

FAQ

This compound is a complex glucopyranosiduronic acid derivative with a molecular weight of approximately 1200 Da. It crystallizes in a specific form with a melting point around 200°C. The compound has limited water solubility, making it suitable for use in organic solvents. It is reactive towards strong acids and bases, and exhibits hydrogen bonding properties typical of its sugar moiety.
This compound is synthesized through a multi-step process involving the protection of the hydroxyl groups, followed by the introduction of the acetoxy group via esterification, and the subsequent installation of the sugar moiety using a suitable protecting group strategy. The reaction is catalyzed by a transition metal complex and proceeds with high selectivity, achieving a yield of up to 85%.
This compound is primarily used in the pharmaceutical industry for developing novel therapeutic agents. It also finds applications in the production of advanced polymers for biomedical devices and in the development of sensors for environmental monitoring. Additionally, its unique structure makes it interesting for research in the semiconductor industry for specific applications in materials science.
Handle this compound in a well-ventilated area or a fume hood to minimize inhalation of volatile components. Wear appropriate personal protective equipment (PPE) including gloves, goggles, and lab coat. Avoid contact with skin and eyes. In case of a spill, neutralize any acids or bases present and dispose of the material according to local waste disposal regulations. Always refer to the Material Safety Data Sheet (MSDS) or Safety Data Sheet (SDS) for detailed handling instructions.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

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