| SpectraBase Compound ID | 1nt6u67U6lS |
|---|---|
| InChI | InChI=1S/C53H61NO16S/c1-26-34(57)24-53(63)48(69-49(62)28-13-11-10-12-14-28)46-51(5,37(58)23-38-52(46,25-67-38)70-27(2)55)47(61)45(42(26)50(53,3)4)68-40(60)20-19-39(59)54-32-17-15-29-21-35(64-6)43(65-7)44(66-8)41(29)30-16-18-36(71-9)33(56)22-31(30)32/h10-14,16,18,21-22,32,34,37-38,45-46,48,57-58,63H,15,17,19-20,23-25H2,1-9H3,(H,54,59)/t32-,34-,37-,38+,45+,46-,48-,51+,52-,53+/m0/s1 |
| InChIKey | RJMSJVZIOPISFX-FPHXJGSFSA-N |
| Mol Weight | 1000.1 g/mol |
| Molecular Formula | C53H61NO16S |
| Exact Mass | 999.371106 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ba6dm937oZO |
|---|---|
| Name | 10-DEACETYL-10-O-(N-DEACETYL-N-SUCCINYLTHIOCOLCHICINYL)-BACCATIN-III |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H61NO16S |
| InChI | InChI=1S/C53H61NO16S/c1-26-34(57)24-53(63)48(69-49(62)28-13-11-10-12-14-28)46-51(5,37(58)23-38-52(46,25-67-38)70-27(2)55)47(61)45(42(26)50(53,3)4)68-40(60)20-19-39(59)54-32-17-15-29-21-35(64-6)43(65-7)44(66-8)41(29)30-16-18-36(71-9)33(56)22-31(30)32/h10-14,16,18,21-22,32,34,37-38,45-46,48,57-58,63H,15,17,19-20,23-25H2,1-9H3,(H,54,59)/t32-,34-,37-,38+,45+,46-,48-,51+,52-,53+/m0/s1 |
| InChIKey | RJMSJVZIOPISFX-FPHXJGSFSA-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 | 1000.124 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU21613 |