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4-[(7S,10S,13R,14R,17R)-7-Hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]pent-4-enoic acid(CAS: 852936-69-7)

4-[(7S,10S,13R,14R,17R)-7-Hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]pent-4-enoic acid
CAS Number

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Basic Information

Molecular Formula
C27H36O6
Molecular Weight
456.57 g/mol
Physical State
Powder

Physical Properties

Melting Point
135-137℃

Chemical Identifiers

SMILES
CC1(C2CC(C3=C(C2(CCC1=O)C)C(=O)CC4(C3(C(=O)CC4C(=C)CCC(=O)O)C)C)O)C
InChIKey
APMICFQMLNFXRZ-UHFFFAOYSA-N

Database References

MDL Number
MFCD28964241

FAQ

The compound is a crystalline solid with a molecular weight of approximately 533.5 g/mol. It has a high melting point and low solubility in water but is soluble in organic solvents. It is less reactive than other fatty acids but shows potential reactivity in hydrogenation and esterification reactions. It is used in pharmaceutical and cosmetic industries due to its unique chemical structure.
The compound is synthesized through a multistep process involving hydroxylation, methylation, and esterification reactions. Commonly, it is synthesized using metal-catalyzed hydrogenation processes followed by selective esterification. The synthesis yields a product with high purity and good selectivity, making it suitable for pharmaceutical applications.
This compound is primarily used in the pharmaceutical industry for drug development, particularly in anticancer and anti-inflammatory medications. It is also utilized in the cosmetic industry for its potential skin care benefits. Its unique structure makes it valuable in research and development for new therapeutic agents.
Proper personal protective equipment (PPE) should be worn, including gloves, goggles, and a lab coat. This compound should be handled in a fume hood to minimize inhalation risk. Spills should be cleaned up with appropriate absorbents and disposed of according to local regulations. Always consult the safety data sheet (SDS) for detailed handling instructions and emergency procedures.

Safety Notice

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

Always follow proper handling procedures

Contact Information

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Liu Xiaomin

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