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(7R,8R,9S,13S,14S,17S)-7-(9-Bromononyl)-3-hydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl acetate(CAS: 875573-66-3)

(7R,8R,9S,13S,14S,17S)-7-(9-Bromononyl)-3-hydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl acetate
CAS Number

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Basic Information

Molecular Formula
C29H43BrO3
Molecular Weight
519.55 g/mol

Physical Properties

Density
1.22

Chemical Identifiers

SMILES
BrCCCCCCCCC[C@@H]1Cc2cc(O)ccc2[C@@H]2[C@@H]1[C@@H]1CC[C@@H]([C@]1(CC2)C)OC(=O)C
InChIKey
KFPTYJLFIUUHEJ-LIHJZYAESA-N

Database References

MDL Number
MFCD21609270

FAQ

The compound has a crystalline form and a molecular weight of approximately 621.23 g/mol. It is slightly soluble in common solvents like dichloromethane and acetonitrile. The compound is reactive towards nucleophiles, particularly bromide ions. It exhibits moderate reactivity in esterification reactions due to the presence of a hydroxyl group.
The compound can be synthesized via a multi-step process involving bromination of a precursor, followed by esterification. Commonly used catalysts include titanium tetrachloride. The final product shows high selectivity and yield in the range of 80-90%. Detailed reaction pathways and mechanisms are extensively covered in chemical literature.
This compound is primarily used in the pharmaceutical industry for the development of advanced drug candidates. It also finds applications in the polymer industry, particularly in the synthesis of novel materials with specific properties. Additionally, it is utilized in the production of sensors and semiconductors due to its unique chemical structure.
Proper personal protective equipment (PPE) including gloves, goggles, and a lab coat should be worn when handling the compound. Work should be conducted in a fume hood to minimize exposure. Spills should be cleaned up using appropriate absorbent materials and reported to a supervisor. The safety data sheet (SDS) should be consulted 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

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