CAS: 245110-80-9 - 1-[(1R)-2-[[(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]oxy]-1-[(S)-(benzoylamino)phenylmethyl]-2-oxoethyl] 4-(2,5-dioxo-1-pyrrolidinyl) butanedioate

Formula:C₅₅H₅₈N₂O₁₉

InChI:InChI=1S/C55H58N2O19/c1-29-35(72-51(68)45(73-40(63)24-25-41(64)76-57-38(61)22-23-39(57)62)43(32-16-10-7-11-17-32)56-49(66)33-18-12-8-13-19-33)27-55(69)48(74-50(67)34-20-14-9-15-21-34)46-53(6,36(60)26-37-54(46,28-70-37)75-31(3)59)47(65)44(71-30(2)58)42(29)52(55,4)5/h7-21,35-37,43-46,48,60,69H,22-28H2,1-6H3,(H,56,66)/t35-,36-,37+,43-,44+,45+,46-,48-,53+,54-,55+/m0/s1

InChI key:InChIKey=DXNRHBJDAAJTTD-CGFZLWGJSA-N

SMILES:O=C(OC1C2C3(OC(=O)C)COC3CC(O)C2(C(=O)C(OC(=O)C)C4=C(C)C(OC(=O)C(OC(=O)CCC(=O)ON5C(=O)CCC5=O)C(NC(=O)C=6C=CC=CC6)C=7C=CC=CC7)CC1(O)C4(C)C)C)C=8C=CC=CC8

Synonyms:
Butanedioic acid, 1-[(1R)-2-[[(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]oxy]-1-[(S)-(benzoylamino)phenylmethyl]-2-oxoethyl] 4-(2,5-dioxo-1-pyrrolidinyl) ester
Paclitaxel succinate NHS ester
1-[(1R)-2-[[(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]oxy]-1-[(S)-(benzoylamino)phenylmethyl]-2-oxoethyl] 4-(2,5-dioxo-1-pyrrolidinyl) butanedioate
Benzenepropanoic acid, β-(benzoylamino)-α-[4-[(2,5-dioxo-1-pyrrolidinyl)oxy]-1,4-dioxobutoxy]-, (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 2′-(succinimidyl succinate)