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

Basic Information

View in Editor

CAS Number

852936-69-7

Molecular Formula

C27H36O6

Molecular Weight

456.57 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Physical State

Powder

Melting Point

135-137℃

Solubility

Methanol,DMSO,Acetontrile,Water

SMILES

View in Editor

CC1(C2CC(C3=C(C2(CCC1=O)C)C(=O)CC4(C3(C(=O)CC4C(=C)CCC(=O)O)C)C)O)C

InChI

InChI=1S/C27H36O6/c1-14(7-8-21(32)33)15-11-20(31)27(6)23-16(28)12-18-24(2,3)19(30)9-10-25(18,4)22(23)17(29)13-26(15,27)5/h15-16,18,28H,1,7-13H2,2-6H3,(H,32,33)

InChIKey

APMICFQMLNFXRZ-UHFFFAOYSA-N

LogP

4.054600000000003

Topological Polar Surface Area

108.74000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

1020

Safety Information

View Safety Information

Storage Conditions

2-8℃

Synonyms & References

English

Dehydrolucidenic acid A, 20(21)-
Dehydrolucidenic acid A
(+)-20(21)-Dehydrolucidenicacid A
20(21)-Dehydrolucidenic acid A
4-[(1R,3aR,4S,9aS,11aR)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1H,2H,4H,5H,5aH,8H,9H,11H-cyclopenta[a]phenanthren-1-yl]pent-4-enoic acid
FS-7135
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
852936-69-7

MDL Number

MFCD28964241

FAQ

What are the physical and chemical properties of 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)?

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.

How is 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) typically synthesized?

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.

What industries use 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)?

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.

What precautions should be taken when handling 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)?

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.