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13-{[(3-N-Boc)-2,2-dimethyl-4S-phenyl-1,3-oxazolidin-5R-yl]formyl}-10-deacetyl-7,10-bis{[(2,2,2-trichloroethyl)oxy]carbonyl} Baccatin III, TRC
Tekniske data
Tekniske data
| Kemisk navn eller materiale | 13-([(3-N-Boc)-2,2-dimethyl-4S-phenyl-1,3-oxazolidin-5R-yl]formyl)-10-deacetyl-7,10-bis([(2,2,2-trichloroethyl)oxy]carbonyl) Baccatin III |
| CAS | 143527-76-8 |
| Molekylær formel | C52H59Cl6NO18 |
| Mængde | 25 mg |
| Synonym | (4S,5R)-2,2-Dimethyl-4-phenyl-3,5-oxazolidinedicarboxylic Acid 5-[(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(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-4,6-bis[[(2,2,2-trichloroethoxy)carbonyl]oxy]-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl] 3-(1,1-dimethylethyl) Ester |
| InChI formel | InChI=1S/C52H59Cl6NO18/c1-26-30(71-41(63)36-34(28-17-13-11-14-18-28)59(47(8,9)76-36)42(64)77-45(3,4)5)22-50(67)39(74-40(62)29-19-15-12-16-20-29)37-48(10,38(61)35(33(26)46(50,6)7)73-44(66)70-25-52(56,57)58)31(72-43(65)69-24-51(53,54)55)21-32-49(37,23-68-32)75-27(2)60/h11-20,30-32,34-37,39,67H,21-25H2,1-10H3/t30-,31-,32+,34-,35+,36+,37-,39-,48+,49-,50+/m0/s1 |
| SMIL | CC(=O)O[C@@]12CO[C@@H]1C[C@H](OC(=O)OCC(Cl)(Cl)Cl)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@@H]6OC(C)(C)N([C@H]6c7ccccc7)C(=O)OC(C)(C)C)C(=C([C@@H](OC(=O)OCC(Cl)(Cl)Cl)C3=O)C5(C)C)C |
| Molekylvægt (g/mol) | 1198.74 |
| Formel vægt | 1195.1863 |
Produkttitel
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