CAS 219783-77-4

(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-Bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl (αR,βS)-α-hydroxy-β-[[(2E)-1-oxo-3-phenyl-2-propen-1-yl]amino]benzenepropanoate

Description:

The chemical substance with the name "(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-Bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl (αR,βS)-α-hydroxy-β-[[(2E)-1-oxo-3-phenyl-2-propen-1-yl]amino]benzenepropanoate" and CAS number "219783-77-4" is a complex organic compound characterized by multiple functional groups, including acetoxy and benzoyloxy moieties. It features a multi-ring structure with a dodecahydro framework, indicating a high degree of saturation. The presence of multiple stereocenters contributes to its chiral nature, which may influence its biological activity and interactions. The compound likely exhibits significant lipophilicity due to its extensive hydrocarbon regions and aromatic components, which can affect its solubility and permeability in biological systems. Additionally, the presence of hydroxyl groups suggests potential for hydrogen bonding, which may enhance its reactivity and interaction with other molecules. Overall, this compound's intricate structure and functional diversity suggest potential applications in pharmaceuticals or as a biochemical probe.

Formula: C₄₉H₅₃NO₁₄

InChI: InChI=1S/C49H53NO14/c1-27-33(62-45(58)39(55)38(31-18-12-8-13-19-31)50-36(54)23-22-30-16-10-7-11-17-30)25-49(59)43(63-44(57)32-20-14-9-15-21-32)41-47(6,34(53)24-35-48(41,26-60-35)64-29(3)52)42(56)40(61-28(2)51)37(27)46(49,4)5/h7-23,33-35,38-41,43,53,55,59H,24-26H2,1-6H3,(H,50,54)/b23-22+/t33-,34-,35+,38-,39+,40+,41-,43-,47+,48-,49+/m0/s1

InChI key: InChIKey=SESDEFPIFUOEIX-UFWAFWIVSA-N

SMILES: O(C(C)=O)[C@]12[C@]3([C@H](OC(=O)C4=CC=CC=C4)[C@@]5(O)C(C)(C)C([C@@H](OC(C)=O)C(=O)[C@]3(C)[C@@H](O)C[C@]1(OC2)[H])=C(C)[C@@H](OC([C@@H]([C@@H](NC(/C=C/C6=CC=CC=C6)=O)C7=CC=CC=C7)O)=O)C5)[H]

Synonyms:

• Benzenepropanoic acid, α-hydroxy-β-[[(2E)-1-oxo-3-phenyl-2-propenyl]amino]-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)-
• (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-Bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl (αR,βS)-α-hydroxy-β-[[(2E)-1-oxo-3-phenyl-2-propen-1-yl]amino]benzenepropanoate
• Benzenepropanoic acid, α-hydroxy-β-[[(2E)-1-oxo-3-phenyl-2-propen-1-yl]amino]-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)-

Paclitaxel EP Impurity O

CAS: 219783-77-4

Formula: C₄₉H₅₃NO₁₄

Color and Shape: White To Off-White Solid

Molecular weight: 879.97

Ref: 4Z-P-2812

Paclitaxel Impurity O

Controlled Product

CAS: 219783-77-4

Formula: C₄₉H₅₃NO₁₄

Color and Shape: Neat

Molecular weight: 879.943

Ref: TR-A188120

Paclitaxel impurity O

CAS: 219783-77-4

Paclitaxel impurity O is a synthetic drug that is used in the treatment of cancer. It is an impurity standard for use in research and development, as well as a custom synthesis. Paclitaxel impurity O has been shown to have a high purity and can be used as a metbolite or analytical standard. It has been shown to possess anti-inflammatory properties, which may be due to its ability to inhibit prostaglandin synthesis.

Formula: C₄₉H₅₃NO₁₄

Purity: Min. 95%

Molecular weight: 879.94 g/mol

Ref: 3D-IP145574

Paclitaxel EP Impurity O

CAS: 219783-77-4

Formula: C₄₉H₅₃NO₁₄

Molecular weight: 879.97

Ref: ST-EA-CP-P36187