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10-DEACETYL-10,13-O-BIS-(2R,3S)-N-[(TERT.-BUTOXY)-CARBONYL-3-PHENYLISOSERINYL]-7-O-(N-DEACETYL-N-SUCCINYLTHIOCOLCHICINYL)-BACCATIN-III

Compound with spectra: 1 NMR

10-DEACETYL-10,13-O-BIS-(2R,3S)-N-[(TERT.-BUTOXY)-CARBONYL-3-PHENYLISOSERINYL]-7-O-(N-DEACETYL-N-SUCCINYLTHIOCOLCHICINYL)-BACCATIN-III
SpectraBase Compound ID 7otTYhGD8Ry
InChI InChI=1S/C81H95N3O24S/c1-42-53(102-72(93)63(89)61(44-25-19-16-20-26-44)83-74(95)107-76(3,4)5)40-81(97)70(105-71(92)46-29-23-18-24-30-46)68-79(11,69(91)67(60(42)78(81,9)10)104-73(94)64(90)62(45-27-21-17-22-28-45)84-75(96)108-77(6,7)8)55(39-56-80(68,41-101-56)106-43(2)85)103-58(88)36-35-57(87)82-50-33-31-47-37-52(98-12)65(99-13)66(100-14)59(47)48-32-34-54(109-15)51(86)38-49(48)50/h16-30,32,34,37-38,50,53,55-56,61-64,67-68,70,89-90,97H,31,33,35-36,39-41H2,1-15H3,(H,82,87)(H,83,95)(H,84,96)/t50-,53-,55-,56+,61-,62-,63-,64-,67+,68-,70-,79+,80-,81+/m0/s1
InChIKey CNKIFKVOVAIANZ-YSJOOMEASA-N
Mol Weight 1526.7 g/mol
Molecular Formula C81H95N3O24S
Exact Mass 1525.602622 g/mol
Enantiomer InChIKey CNKIFKVOVAIANZ-UZPHUJDTSA-N

View Spectrum of 10-DEACETYL-10,13-O-BIS-(2R,3S)-N-[(TERT.-BUTOXY)-CARBONYL-3-PHENYLISOSERINYL]-7-O-(N-DEACETYL-N-SUCCINYLTHIOCOLCHICINYL)-BACCATIN-III

13C NMR Spectrum
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
13',16':18',21'-dietheno-1,1''-diethyl-3',14',20',31'-tetramethyldispiro[piperidine-4,17'-[5,12,22,29]tetraoxa[37,40,41]triazatetracyclo[31.13.1.0.(4,45).0(30,35)]heptatetraconta-1',3',13',15',18',20',30',34',35',45'-decaene-47',4''-piperidine]-38',42'-dione
6H,13H-5,13:6,12-Dietheno-5a,12a-(methaniminomethano)-1H,5H,8H,12H-[1,2,4]triazolo[1,2-a][1,2,4]triazolo[1',2':1,2]pyridazino[4,5-d]pyridazine-18-acetic acid, 15-bromo-2,3,9,10-tetrahydro-.alpha.-(2-methylpropyl)-1,3,8,10,17,19- hexaoxo-2,9-diphenyl-, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, [1R-[1.alpha.,2.alpha.[S*(5R*,5aR*,6S*,12S*,12aR*,13R*)],4.alpha.]]-
{(4a,5,6,7,7a-.eta.)-4-(2",2"-Dimethyl-1",3"-dioxolan-4"-yl)-3a,5,8,8a-tetrahydro-2,2-dimethyl-4H-indeno[5,6-d]-1,3-dioxol-5-yl}-{(4',5',6',7',7a'-.eta.)-5'-(chloromercurio)-4'-(2"',2"'-dimethyl-1'",3'"-dioxolan-4"'-yl}-3a',5',8',8a'-tetrahydro-2',2'-dimethyl-4H-indeno5,6-d]-1',3'-dioxol-5'-yl}- iron (II)
21H,23H-Porphine-2,18-dipropanoic acid, 7,12-bis[1-[1-[(1-hydroxyethyl)-2,18-bis(3-methoxy-3-oxopropyl)-3,17,?,?-tetramethyl-21H,23H-porphinyl]ethoxy]ethyl]-3,8,13,17-tetramethyl-, dimethyl ester
2-Propenoic acid, 3-phenyl-, 1,1a,1b,1c,2a,3,3a,4,6a,6b,7,8-dodecahydro-3a,6b-dihydroxy-1,1,5,7-tetramethyl-4-oxo-2a-[[(1-oxo-3-phenyl-2-propenyl)oxy]methyl]-8aH-cyclopropa[5',6']benz[1',2':7,8]az uleno[5,6-b]oxirene-8,8a-diyl ester, [1aR-(1a.alpha.,1b.beta.,1c.beta.,2a.beta.,3a.beta.,6a.alpha.,6b.alpha.,7.alpha.,8.beta.,8a.alpha.)]-
38-(3,5-Dimethylphenyl)-7,8,19,20,28,29,35,36-octahydro-6H,10H,16H,32H,34H-59:17,21-dimethano-11,15-metheno-1,2,5-[1',3']pyrimidino-5H,27H-dibenzo[b,u][1,23,4,8,16,20]dioxatetraazacyclohexacosine-32,37,39-trione
21H,23H-Porphine-2,18-dipropanoic acid, 7,12-bis[1-[1-[ethenyl-2,18-bis(3-methoxy-3-oxopropyl)-3,17,?,?-tetramethyl-21H,23H-porphinyl]ethoxy]ethyl]-3,8,13,17-tetramethyl-, dimethyl ester
21H,23H-Porphine-2,18-dipropanoic acid, 7,12-bis[1-[1-[(1-hydroxyethyl)-2,18-bis(3-methoxy-3-oxopropyl)-3,17,?,?-tetramethyl-21H,23H-porphinyl]ethoxy]ethyl]-3,8,13,17-tetramethyl-, dimethyl ester
Cobalt, bis(cyano-C)(8,11-diethyl-2,3,3a,7,8,9,10,11,12,16,17,20a-dodecahydro-3a,5,8,9,12,14,17,17-octamethyl-7,12,16,20a-tetrapropyl-10,13-imino-4,20:9,16:18,15-trinitrilo-6H-cyclononadeca[b]furanato-N21,N22,N23,N24)-, stereoisomer
38-(3,5-Dimethylphenyl)-7,8,19,20,28,29,35,36-octahydro-6H,10H,16H,32H,34H-59:17,21-dimethano-11,15-metheno-1,2,5-[1',3']pyrimidino-5H,27H-dibenzo[b,u][1,23,4,8,16,20]dioxatetraazacyclohexacosine-32,37,39-trione
Title Journal or Book Year
Synthesis and Biological Evaluation of PaclitaxelThiocolchicine Hybrids Chemistry & Biodiversity 2004
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