(3alpha,5beta,8alpha,9beta,10alpha,13alpha)-9,17-Dihydroxy-3-{[(2E)-3-phenyl-2-propenoyl]oxy}kaur-15-en-18-oic acid | CAS No. 2186648-60-0

(3alpha,5beta,8alpha,9beta,10alpha,13alpha)-9,17-Dihydroxy-3-{[(2E)-3-phenyl-2-propenoyl]oxy}kaur-15-en-18-oic acid

Basic Information

CAS Number

2186648-60-0

Molecular Formula

C29H36O6

Molecular Weight

480.59 g/mol

AD

Basic Physical Properties

C[C@]1([C@@H](CC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@@]21O)C(CO)=C3)OC(=O)/C=C/C1=CC=CC=C1)C(O)=O

InChI

InChI=1S/C29H36O6/c1-26-13-12-23(35-24(31)9-8-19-6-4-3-5-7-19)27(2,25(32)33)22(26)11-14-28-16-20(21(17-28)18-30)10-15-29(26,28)34/h3-9,17,20,22-23,30,34H,10-16,18H2,1-2H3,(H,32,33)/b9-8+/t20-,22+,23-,26-,27+,28+,29-/m1/s1

InChIKey

AODVUYDMZFOGDV-OKOIVJNTSA-N

LogP

4.362500000000003

Topological Polar Surface Area

104.06 Ų

Hydrogen Bond Donor/Acceptor

3 / 6

Synonyms & References

English

    FAQ

    What are the physical and chemical properties of (3alpha,5beta,8alpha,9beta,10alpha,13alpha)-9,17-Dihydroxy-3-{[(2E)-3-phenyl-2-propenoyl]oxy}kaur-15-en-18-oic acid (CAS: 2186648-60-0)?

    The compound (3alpha,5beta,8alpha,9beta,10alpha,13alpha)-9,17-Dihydroxy-3-{[(2E)-3-phenyl-2-propenoyl]oxy}kaur-15-en-18-oic acid has a crystalline form with a molecular weight of approximately 600 g/mol. It has limited water solubility and is soluble in organic solvents like DMSO. The compound is reactive, showing potential for esterification and other transformations typical of carboxylic acids. It is sensitive to strong bases and light, making it important to store under appropriate conditions.

    How is (3alpha,5beta,8alpha,9beta,10alpha,13alpha)-9,17-Dihydroxy-3-{[(2E)-3-phenyl-2-propenoyl]oxy}kaur-15-en-18-oic acid (CAS: 2186648-60-0) typically synthesized?

    This compound can be synthesized through a series of reactions involving kaurane derivatives, often using esterification and condensation reactions. The synthesis typically involves the use of esters and aldehydes as starting materials, with careful control over reaction conditions to ensure high yield and selectivity. The process may require the use of specific catalysts and protectants to achieve the desired product.

    What industries use (3alpha,5beta,8alpha,9beta,10alpha,13alpha)-9,17-Dihydroxy-3-{[(2E)-3-phenyl-2-propenoyl]oxy}kaur-15-en-18-oic acid (CAS: 2186648-60-0)?

    This compound is primarily used in the pharmaceutical industry for its potential biological activities, such as anti-inflammatory and antioxidant properties. It may also have applications in the polymer industry for the development of novel materials, and in the sensor industry for its sensitivity to certain environmental conditions. Specific applications in semiconductors and electronic devices are less common but may be explored for specialized uses.

    What precautions should be taken when handling (3alpha,5beta,8alpha,9beta,10alpha,13alpha)-9,17-Dihydroxy-3-{[(2E)-3-phenyl-2-propenoyl]oxy}kaur-15-en-18-oic acid (CAS: 2186648-60-0)?

    When handling this compound, it is important to wear appropriate personal protective equipment (PPE) such as gloves and goggles. Work should be conducted under a fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate absorbent materials, and the area should be thoroughly ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and storage instructions, as well as emergency response procedures.

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