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(2alpha,5beta,7beta,10beta,13alpha)-4-Acetoxy-1,7,10-trihydroxy-13-{[(2R,3S)-2-hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-phenylpropanoyl]oxy}-9-oxo-5,20-epoxytax-11-en-2-yl benzoate(CAS: 114977-28-5)

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

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Basic Information

Molecular Formula
C43H53NO14
Molecular Weight
807.89 g/mol

Physical Properties

Melting Point
232 ºC
Boiling Point
900.5°C at 760 mmHg
Flash Point
498.4ºC
Water Solubility
Soluble in dimethyl sulfoxide and ethanol. Insoluble in water.

Chemical Identifiers

SMILES
CC(=O)O[C@]12CO[C@@H]2C[C@H](O)[C@]3(C)[C@@H]1[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](O)C3=O)C5(C)C)C
InChIKey
ZDZOTLJHXYCWBA-VCVYQWHSSA-N

Database References

MDL Number
MFCD00871399

FAQ

This compound, with CAS number 114977-28-5, is a complex taxane derivative. It features multiple hydroxyl, acetoxy, and epoxy groups, making it a potent semi-synthetic substance. Its molecular structure includes a benzoate group and several stereocenters, contributing to its biological activity. It is primarily known for its potential in pharmaceutical applications, particularly in cancer treatment due to its taxane-related properties.
This compound, CAS 114977-28-5, is mainly used in pharmaceutical research for its potential anti-cancer properties. It is a derivative of taxol, which is known for its activity against certain types of cancer. In drug development, it may serve as a lead compound for creating more effective chemotherapy agents. Its complex structure also makes it valuable for studying biological mechanisms and molecular interactions.
The safety of this compound, CAS 114977-28-5, depends on its application and exposure conditions. It is generally considered safe in controlled pharmaceutical settings but may pose risks if mishandled. Precautions include using protective equipment and following standard safety protocols for handling potent chemical compounds. Long-term toxicity data may be limited, so it should be used with care and under professional supervision.
This compound, CAS 114977-28-5, should be stored in a cool, dry, and dark place to maintain stability. It is best kept in a sealed container away from moisture and light to prevent degradation. Storage at 2-8°C is recommended for long-term preservation. Avoid exposure to air and incompatible substances to ensure safety and effectiveness during storage.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

Contact Information

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0512-85551896

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