CAS: 165065-02-1 - (2aR,4aR,6R,9S,11S,12S,12aR,12bS)-6,12b-Bis(acetyloxy)-12-(benzoyloxy)-2a,4a,5,6,9,10,11,12,12a,12b-decahydro-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl (αR,βS)-β-(benzoylamino)-α-[[(1,1-dimethylethyl)dimethylsilyl]oxy]benzenepropanoate

Formula:C₅₃H₆₃NO₁₃Si

InChI:InChI=1S/C53H63NO13Si/c1-31-37(64-48(60)42(67-68(10,11)49(4,5)6)40(34-21-15-12-16-22-34)54-46(58)35-23-17-13-18-24-35)29-53(61)45(65-47(59)36-25-19-14-20-26-36)43-51(9,28-27-38-52(43,30-62-38)66-33(3)56)44(57)41(63-32(2)55)39(31)50(53,7)8/h12-28,37-38,40-43,45,61H,29-30H2,1-11H3,(H,54,58)/t37-,38+,40-,41+,42+,43-,45-,51+,52-,53+/m0/s1

InChI key:InChIKey=STDWDYDOHOANPV-BFKFGTFBSA-N

SMILES:O=C(OC1C2C(C=CC3OCC32OC(=O)C)(C(=O)C(OC(=O)C)C4=C(C)C(OC(=O)C(O[Si](C)(C)C(C)(C)C)C(NC(=O)C=5C=CC=CC5)C=6C=CC=CC6)CC1(O)C4(C)C)C)C=7C=CC=CC7

Synonyms:
Benzenepropanoic acid, β-(benzoylamino)-α-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (2aR,4aR,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,4a,5,6,9,10,11,12,12a,12b-decahydro-11-hydroxy-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,4aR,6R,9S,11S,12S,12aR,12bS)-6,12b-Bis(acetyloxy)-12-(benzoyloxy)-2a,4a,5,6,9,10,11,12,12a,12b-decahydro-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl (αR,βS)-β-(benzoylamino)-α-[[(1,1-dimethylethyl)dimethylsilyl]oxy]benzenepropanoate
Benzenepropanoic acid, β-(benzoylamino)-α-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,4a,5,6,9,10,11,12,12a,12b-decahydro-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aα,4aβ,6β,9α(αR*,βS*),11α,12α,12aα,12bα]]-
2′-O-(tert-Butyldimethylsilyl)-6,7-dehydropaclitaxel