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DHA-Paclitaxel

DHA-Paclitaxel

Product Description
CAT No.
ALN-P032145
CAS No.
199796-52-6
Mol. F.
C69H81NO15
Mol. Wt.
1164.4
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Chemical Name : Paclitaxel 2’-(all-cis-4,7,10,13,16,19-docosahexaenoate); Taxoprexin; (αR,βS)-β-(Benzoylamino)-α-[[(4Z,7Z,10Z,13Z,16Z,19Z)-1-oxo-4,7,10,13,16,19-docosahexaenyl]oxy]-Benzenepropanoic Acid Mono[(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; [2aR-[2aα,4β,4aβ,6β,9α(αR*,βS*),11α,12α,12aα,12bα]]-β-(Benzoylamino)-α-[(1-oxo-4,7,10,13,16,19-docosahexaenyl)oxy]benzenepropanoic Acid, 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; Benzenepropanoic acid, β-​(benzoylamino)​-​α-​[[(4Z,​7Z,​10Z,​13Z,​16Z,​19Z)​-​1-​oxo-​4,​7,​10,​13,​16,​19-​docosahexaen-​1-​yl]​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-​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)​-; Benzenepropanoic acid, β-(benzoylamino)-α-[(1-oxo-4,7,10,13,16,19-docosahexaenyl)oxy]-, 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, [2aR-[2aα,4β,4aβ,6β,9α(αR*,βS*),11α,12α,12aα,12bα]]- Benzenepropanoic acid, β-(benzoylamino)-α-[[(4Z,7Z,10Z,13Z,16Z,19Z)-1-oxo-4,7,10,13,16,19-docosahexaenyl]oxy]-, mono[(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)- (9CI) DHA-Paclitaxel Paclitaxel 2′-(all-cis-4,7,10,13,16,19-docosahexaenoate) Taxoprexin; (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-9-(((2R)-3-benzamido-2-(((4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl)oxy)-3-phenylpropanoyl)oxy)-12-(benzoyloxy)-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-3,4,4a,5,6,9,10,11,12,12a-decahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxete-6,12b(2aH)-diyl diacetate
Smiles : CC(O[C@@]1([C@@H](C[C@@H]2O)OC1)[C@@]([C@@]2(C3=O)C)([H])[C@@H]([C@@](C4(C)C)(C[C@H](OC([C@H](OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)C(NC(C5=CC=CC=C5)=O)C6=CC=CC=C6)=O)C(C)=C4[C@H]3OC(C)=O)O)OC(C7=CC=CC=C7)=O)=O
Inchi : InChI=1S/C40H47NO13/c1-20-25(53-36(49)30(46)29(23-13-9-7-10-14-23)41-35(48)24-15-11-8-12-16-24)18-40(50)34-32-38(6,33(47)31(52-21(2)42)28(20)37(40,4)5)26(44)17-27(45)39(32,19-51-34)54-22(3)43/h7-16,25-27,29-32,34,44-46,50H,17-19H2,1-6H3,(H,41,48)/t25-,26-,27+,29-,30+,31+,32-,34-,38+,39-,40+/m0/s1

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