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(2alpha,5beta,7beta,10beta,13alpha)-4-Acetoxy-1-hydroxy-13-{[(2R,3S)-2-hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-phenylpropanoyl]oxy}-7,10-dimethoxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoa te(CAS: 183133-96-2)

(2alpha,5beta,7beta,10beta,13alpha)-4-Acetoxy-1-hydroxy-13-{[(2R,3S)-2-hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-phenylpropanoyl]oxy}-7,10-dimethoxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoa
te
CAS Number

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Basic Information

Molecular Formula
C45H57NO14
Molecular Weight
835.94 g/mol

Physical Properties

Melting Point
180°C(lit.)

Chemical Identifiers

SMILES
CO[C@H]1C[C@H]2OC[C@@]2(OC(=O)C)[C@H]3[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C([C@@H](OC)C(=O)[C@]13C)C5(C)C)C
InChIKey
BMQGVNUXMIRLCK-OAGWZNDDSA-N

Database References

MDL Number
MFCD18827611

FAQ

This is a complex organic compound with the CAS number 183133-96-2. It is a derivative of taxol, commonly known as paclitaxel, and contains multiple functional groups such as hydroxyl, methoxy, and ester groups. The compound is characterized by its intricate stereochemistry and is often studied in pharmaceutical and research contexts due to its potential biological activity.
This compound is primarily used in pharmaceutical research as a potential analog of paclitaxel, which is an anti-cancer drug. It may also serve as a precursor in the synthesis of taxane derivatives and is studied for its biological properties and applications in drug development. Its use extends to medicinal chemistry and bioorganic research fields.
The safety of this compound depends on its specific application and exposure conditions. As a taxane derivative, it may exhibit some toxicity similar to paclitaxel, necessitating careful handling. Protective measures such as gloves and proper ventilation should be used when working with it. Safety data should be reviewed according to current chemical safety standards for appropriate use.
This compound should be stored in a cool, dry, and dark place, away from moisture and light. It is typically kept in a sealed container at a temperature below 25°C to maintain stability. Proper storage conditions are essential to prevent degradation and ensure the compound remains effective for its intended use.

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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