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Paclitaxel 7-((alphaR,betaS)-beta-(Benzoylamino)-alpha-hydroxybenzenepropanoate, TRC

Artikelnummer. 30337817
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Artikelnummer. 30337817 Leverandør Toronto Research Chemicals Leverandørnr. TRCB00200525MG

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Tekniske data

Kemisk navn eller materiale Paclitaxel 7-(alphaR,betaS)-beta-(Benzoylamino)-alpha-hydroxybenzenepropanoate
CAS 376629-82-2
Molekylær formel C63 H64 N2 O17
Mængde 25 mg
Synonym (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-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxete-4,9-diylester-(αR,α'R,βS,β'S)-β-(benzoylamino)-α-hydroxy-benzenepropanoic Acid
InChI formel InChI=1S/C63H64N2O17/c1-35-43(79-58(74)49(68)47(38-22-12-7-13-23-38)64-55(71)40-26-16-9-17-27-40)33-63(76)54(81-57(73)42-30-20-11-21-31-42)52-61(6,53(70)51(78-36(2)66)46(35)60(63,4)5)44(32-45-62(52,34-77-45)82-37(3)67)80-59(75)50(69)48(39-24-14-8-15-25-39)65-56(72)41-28-18-10-19-29-41/h7-31,43-45,47-52,54,68-69,76H,32-34H2,1-6H3,(H,64,71)(H,65,72)/t43-,44-,45+,47-,48-,49+,50+,51+,52-,54-,61+,62-,63+/m0/s1
SMIL CC(=O)O[C@H]1C(=O)[C@]2(C)[C@H](C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c8ccccc8)c9ccccc9
IUPAC navn [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-9,15-bis[[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy]-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
Molekylvægt (g/mol) 1121.186
Formel vægt 1120.42
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