| SpectraBase Compound ID | HUmCpM7ArJB |
|---|---|
| InChI | InChI=1S/C59H75NO16SSi/c1-13-78(14-2,15-3)76-41-30-59(68)54(74-55(67)34-19-17-16-18-20-34)52-57(8,43(63)29-44-58(52,31-72-44)75-33(5)61)53(66)51(48(32(41)4)56(59,6)7)73-46(65)26-25-45(64)60-38-23-21-35-27-40(69-9)49(70-10)50(71-11)47(35)36-22-24-42(77-12)39(62)28-37(36)38/h16-20,22,24,27-28,38,41,43-44,51-52,54,63,68H,13-15,21,23,25-26,29-31H2,1-12H3,(H,60,64)/t38-,41-,43-,44+,51+,52-,54-,57+,58-,59+/m0/s1 |
| InChIKey | DNBPTRHKTKSPSM-LQRIRARBSA-N |
| Mol Weight | 1114.4 g/mol |
| Molecular Formula | C59H75NO16SSi |
| Exact Mass | 1113.457583 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6GKfEx1lwkw |
|---|---|
| Name | 10-DEACETYL-10-O-(N-DEACETYL-N-SUCCINYLTHIOCOLCHICINYL)-13-O-(TRIETHYLSILYL)-BACCATIN-III |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C59H75NO16SSi |
| InChI | InChI=1S/C59H75NO16SSi/c1-13-78(14-2,15-3)76-41-30-59(68)54(74-55(67)34-19-17-16-18-20-34)52-57(8,43(63)29-44-58(52,31-72-44)75-33(5)61)53(66)51(48(32(41)4)56(59,6)7)73-46(65)26-25-45(64)60-38-23-21-35-27-40(69-9)49(70-10)50(71-11)47(35)36-22-24-42(77-12)39(62)28-37(36)38/h16-20,22,24,27-28,38,41,43-44,51-52,54,63,68H,13-15,21,23,25-26,29-31H2,1-12H3,(H,60,64)/t38-,41-,43-,44+,51+,52-,54-,57+,58-,59+/m0/s1 |
| InChIKey | DNBPTRHKTKSPSM-LQRIRARBSA-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 | 1114.387 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU21611 |