(3beta,14xi)-Stigmast-5-en-3-ol

Basic Information

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CAS Number

68441-03-2

Molecular Formula

C29H50O

Molecular Weight

414.72 g/mol

Chemical Classification

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

SMILES

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CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C

InChI

InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26?,27+,28+,29-/m1/s1

InChIKey

KZJWDPNRJALLNS-ICLVQLPZSA-N

LogP

8.02480000000001

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

634

Synonyms & References

English

68441-03-2
Phytosteroid
Phytosterols
(3S,8S,9S,10R,13R,17R)-17-((2R,5R)-5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
949109-75-5
AC-13728
(3S,8S,9S,10R,13R,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Sterols, ethoxylated
(3β,14ξ)-Stigmast-5-en-3-ol

FAQ

What are the physical and chemical properties of (3beta,14xi)-Stigmast-5-en-3-ol (CAS: 68441-03-2)?

(3beta,14xi)-Stigmast-5-en-3-ol is a solid at room temperature, with a molecular weight of approximately 338.48 g/mol. It is moderately soluble in organic solvents such as ethanol and acetone. This compound is less reactive than its parent compound and does not readily undergo typical radical reactions. It is stable under normal laboratory conditions, but should be stored away from direct sunlight and heat sources.

How is (3beta,14xi)-Stigmast-5-en-3-ol (CAS: 68441-03-2) typically synthesized?

(3beta,14xi)-Stigmast-5-en-3-ol can be synthesized via a hydrogenation reaction of stigmast-5-en-3-one, catalyzed by a palladium-based catalyst. The hydrogenation yields a high selectivity for the desired 3-ol product with a yield of over 90%. This method is efficient and reproducible, making it a common choice in laboratories.

What industries use (3beta,14xi)-Stigmast-5-en-3-ol (CAS: 68441-03-2)?

(3beta,14xi)-Stigmast-5-en-3-ol is primarily used in the pharmaceutical industry for the synthesis of natural product derivatives and as a starting material in the production of steroid hormones. It also finds applications in the polymer industry for the development of biodegradable polymers and in sensor technology for the detection of specific analytes.

What precautions should be taken when handling (3beta,14xi)-Stigmast-5-en-3-ol (CAS: 68441-03-2)?

When handling (3beta,14xi)-Stigmast-5-en-3-ol, it is recommended to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Ensure that the work is conducted in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate absorbent material, and contaminated materials should be disposed of according to local regulations. Always consult the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures.