Compound Q&A

What are the physical and chemical properties of (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)?

Answer

(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
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.

About

English Name (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
Molecular Formula C43H66O14
Molecular Weight 806.99 g/mol
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
Last Updated: 2025-10-16 16:48

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