Compound Q&A
What is (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)?
Answer
![(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](https://static.chemtradehub.com/structs/114/114977-28-5-e9b5.webp "(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")
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.
About
CAS No
114977-28-5
English Name
(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
Molecular Formula
C43H53NO14
Molecular Weight
807.89 g/mol
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
Last Updated: 2025-08-25 01:07
![(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 — Shanghai Yuyeh Biotechnology Co., Ltd.](https://static.chemtradehub.com/suppliers/67ce9f132b2de6e8e95a48fe/67ce9f132b2de6e8e95a48fe-logo.webp){kind=logo}