3-O-Acetyl-16α-hydroxydehydrotrametenolic acid

Basic Information

View in Editor

CAS Number

168293-14-9

Molecular Formula

C32H48O5

Molecular Weight

512.72 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Physical State

Powder

Solubility

Insuluble (1.3E-5 g/L) (25 ºC),

SMILES

View in Editor

CC(=CCCC(C1C(O)CC2(C1(C)CC=C1C2=CCC2C1(C)CCC(C2(C)C)OC(=O)C)C)C(=O)O)C

InChI

InChI=1S/C32H48O5/c1-19(2)10-9-11-21(28(35)36)27-24(34)18-32(8)23-12-13-25-29(4,5)26(37-20(3)33)15-16-30(25,6)22(23)14-17-31(27,32)7/h10,12,14,21,24-27,34H,9,11,13,15-18H2,1-8H3,(H,35,36)

InChIKey

DLBLMTCYISHWGP-UHFFFAOYSA-N

LogP

6.861400000000008

Topological Polar Surface Area

83.83 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

1050

Safety Information

View Safety Information

Storage Conditions

2-8℃

Synonyms & References

English

3-O-Acetyl-16α-hydroxydehydrotrametenolic acid
3-O-Acetyl-16 alpha-hydroxydehydrotrametenolic acid
Dehydrotrametenolic acid,16-alpha-hydroxy-3-O-acetyl-
(3beta,16alpha)-3-(Acetyloxy)-16-hydroxylanosta-7,9(11),24-trien-21-oic acid
(2R)-2-[(3S,5R,10S,13R,14R,16R,17R)-3-Acetyloxy-16-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16
3-O-Acetyl-16α-hydroxy-7,11-didehydrotrametenolic acid

MDL Number

MFCD31560811

FAQ

What is 3-O-Acetyl-16α-hydroxydehydrotrametenolic acid (CAS: 168293-14-9)?

3-O-Acetyl-16α-hydroxydehydrotrametenolic acid is a chemical compound with the CAS number 168293-14-9. It is a derivative of dehydrotrametacin, a non-steroidal anti-inflammatory drug (NSAID). This compound exhibits anti-inflammatory and analgesic properties and is used in research for its pharmacological effects.

What are the main uses of 3-O-Acetyl-16α-hydroxydehydrotrametenolic acid (CAS: 168293-14-9)?

3-O-Acetyl-16α-hydroxydehydrotrametenolic acid is primarily used in pharmaceutical research for its anti-inflammatory and analgesic properties. It may also have potential applications in developing new NSAIDs and as a model compound for studying the pharmacology of related molecules.

Is 3-O-Acetyl-16α-hydroxydehydrotrametenolic acid (CAS: 168293-14-9) safe?

3-O-Acetyl-16α-hydroxydehydrotrametenolic acid (CAS: 168293-14-9) is generally considered safe for research purposes when handled with appropriate precautions. However, it is important to follow safety guidelines, including wearing appropriate personal protective equipment (PPE) and ensuring proper ventilation. Direct contact with skin or inhalation of vapors should be avoided.

How should 3-O-Acetyl-16α-hydroxydehydrotrametenolic acid (CAS: 168293-14-9) be stored?

3-O-Acetyl-16α-hydroxydehydrotrametenolic acid (CAS: 168293-14-9) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture and light exposure. Storage at temperatures below 25°C is recommended to maintain its stability.