| Nombre del producto |
Simotaxel |
| Sinónimos |
Simotaxel [USAN]; MST 997; (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-4,11-Dihydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxete-6,9,12,12b-tetrayl 12b-acetate 12-benzoate 6-cyclopentanecarboxylate 9-((2R,3R)-2-hydroxy-3-(((1-methylethoxy)carbonyl)amino)-3-(thiophen-2-yl)propanoate; 2-Thiophenepropanoic acid, alpha-hydroxy-beta-[[(1-methylethoxy)carbonyl]amino], (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-6-[(cyclopentylcarbonyl)oxy]-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, (alphaR,betaR)- |
| Fórmula molecular |
C46H57NO15S |
| Peso Molecular |
896.02 |
| InChI |
InChI=1/C46H57NO15S/c1-23(2)58-42(55)47-33(29-18-13-19-63-29)34(50)41(54)59-28-21-46(56)38(61-40(53)27-14-9-8-10-15-27)36-44(7,30(49)20-31-45(36,22-57-31)62-25(4)48)37(51)35(32(24(28)3)43(46,5)6)60-39(52)26-16-11-12-17-26/h8-10,13-15,18-19,23,26,28,30-31,33-36,38,49-50,56H,11-12,16-17,20-22H2,1-7H3,(H,47,55)/t28?,30-,31?,33-,34+,35+,36?,38?,44+,45?,46+/m0/s1 |
| Número de registro CAS |
791635-59-1 |
| Estructura Molecular |
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