![10-DEACETYL-10,13-O-BIS-(2R,3S)-N-[(TERT.-BUTOXY)-CARBONYL-3-PHENYLISOSERINYL]-7-O-(N-DEACETYL-N-SUCCINYLTHIOCOLCHICINYL)-BACCATIN-III](/api/spectrum/2El23JI1w3H/structure.png?h=300&w=458 "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 |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2El23JI1w3H |
|---|---|
| Name | 10-DEACETYL-10,13-O-BIS-(2R,3S)-N-[(TERT.-BUTOXY)-CARBONYL-3-PHENYLISOSERINYL]-7-O-(N-DEACETYL-N-SUCCINYLTHIOCOLCHICINYL)-BACCATIN-III |
| Compound Number | 27 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C81H95N3O24S |
| 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 |
| Literature Reference Author | B.DANIELI,A.GIARDINI,G.LESMA,D.PASSARELLA,A.SILVANI,G.APPEND INO,A.NONCOVICH,G.F |
| Literature Reference Citation | CHEM.BIODIV.,1,327(2004) |
| Literature Reference DOI | 10.1002/cbdv.200490029 |
| Molecular Weight | 1526.711 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU21618 |