CAS 135365-62-7: Benzenepropanoic acid, β-(benzoylamino)-α-[(triethylsilyl)oxy]-, (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-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-4-[(triethylsilyl)oxy]-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)-

Description:Benzenepropanoic acid, β-(benzoylamino)-α-[(triethylsilyl)oxy]-, is a complex organic compound characterized by its intricate molecular structure, which includes multiple functional groups such as carboxylic acids, amines, and esters. The presence of triethylsilyl groups suggests enhanced stability and solubility in organic solvents, making it useful in various chemical applications. The compound features a bicyclic structure, indicative of its potential biological activity, possibly influencing its interaction with biological systems. Its stereochemistry, denoted by specific configurations at several chiral centers, implies that it may exhibit unique pharmacological properties, which could be relevant in medicinal chemistry. The presence of multiple acetoxy and benzoyloxy substituents further indicates potential reactivity and versatility in synthetic pathways. Overall, this compound's complex architecture and functional diversity make it a subject of interest in both synthetic organic chemistry and pharmaceutical research, although specific applications would depend on further studies and evaluations of its properties and activities.

Formula:C₅₉H₇₉NO₁₄Si₂

InChI:InChI=1S/C59H79NO14Si2/c1-13-75(14-2,15-3)73-44-34-45-58(36-68-45,72-39(9)62)50-52(71-54(65)42-32-26-21-27-33-42)59(67)35-43(37(7)46(56(59,10)11)48(69-38(8)61)51(63)57(44,50)12)70-55(66)49(74-76(16-4,17-5)18-6)47(40-28-22-19-23-29-40)60-53(64)41-30-24-20-25-31-41/h19-33,43-45,47-50,52,67H,13-18,34-36H2,1-12H3,(H,60,64)/t43-,44-,45+,47-,48+,49+,50-,52-,57+,58-,59+/m0/s1

InChI key:InChIKey=WPGSFSCXNLAODB-SDXTULIHSA-N

SMILES:O=C(OC1C2C3(OC(=O)C)COC3CC(O[Si](CC)(CC)CC)C2(C(=O)C(OC(=O)C)C4=C(C)C(OC(=O)C(O[Si](CC)(CC)CC)C(NC(=O)C=5C=CC=CC5)C=6C=CC=CC6)CC1(O)C4(C)C)C)C=7C=CC=CC7

Synonyms:
2′,7-Bis(triethylsilyl)taxol A
2′,7-Bis(triethylsilyl)taxol
7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, benzenepropanoic acid deriv.
Benzenepropanoic acid, β-(benzoylamino)-α-[(triethylsilyl)oxy]-, (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-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-4-[(triethylsilyl)oxy]-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)-
Benzenepropanoic acid, β-(benzoylamino)-α-[(triethylsilyl)oxy]-, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-4-[(triethylsilyl)oxy]-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aα,4β,4aβ,6β,9α(αR*,βS*),11α,12α,12aα,12bα]]-