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(7R,8R,9S,13S,14S,17S)-13-Methyl-7-(9-((4,4,5,5,5-pentafluoropentyl)thio)nonyl)-7,8,9,11,12,13,14,15,16,17-decahydro-6h-cyclopenta[a]phenanthrene-3,17-diol(CAS: 153004-31-0)

(7R,8R,9S,13S,14S,17S)-13-Methyl-7-(9-((4,4,5,5,5-pentafluoropentyl)thio)nonyl)-7,8,9,11,12,13,14,15,16,17-decahydro-6h-cyclopenta[a]phenanthrene-3,17-diol
CAS Number

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Basic Information

Molecular Formula
C32H47F5O2S
Molecular Weight
590.78 g/mol

Physical Properties

Boiling Point
622.105°C at 760 mmHg

Chemical Identifiers

SMILES
Oc1ccc2c(c1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C)CCCCCCCCCSCCCC(C(F)(F)F)(F)F
InChIKey
BVAUHWMMAVAPFK-LSVBPWPTSA-N

Database References

MDL Number
MFCD21609269

FAQ

This compound has a crystalline form and a high molecular weight due to its complex structure. It shows low solubility in water but is more soluble in organic solvents like dimethyl sulfoxide (DMSO) and acetonitrile. Chemically, it is stable under normal conditions but reactive towards strong acids and bases. Its unique structure makes it suitable for various applications requiring specific functional groups.
This compound is typically synthesized via a multistep process involving the protection of key functional groups, introduction of the pentafluoropentyl thioether, and subsequent ring-opening reactions. The synthesis often employs catalytic hydrogenation and use of protecting agents to ensure the desired stereochemistry. High yields and good selectivity are achieved with optimized conditions and careful control of reaction parameters.
This compound finds applications in the pharmaceutical industry for developing specialized drug candidates, particularly those requiring specific functional groups for targeted drug delivery. It is also used in the polymer industry for enhancing the performance of certain polymers, and in the semiconductor industry for creating novel materials with unique electronic properties.
When handling this compound, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated fume hood to minimize inhalation risks. Proper spill containment measures should be in place, and the Material Safety Data Sheet (MSDS) or Safety Data Sheet (SDS) should be consulted for detailed emergency procedures and handling guidelines. Storage should be in a cool, dry place away from incompatible materials.

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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