| SpectraBase Compound ID | KiKowdkTdHT |
|---|---|
| InChI | InChI=1S/C36H56O13/c1-17-8-11-35(30(46)49-28-25(42)24(41)23(40)20(15-37)48-28)13-12-32(3)18(26(35)34(17,5)47)6-7-21-31(2)14-19(39)27(43)36(16-38,29(44)45)22(31)9-10-33(21,32)4/h6,17,19-28,37-43,47H,7-16H2,1-5H3,(H,44,45)/t17-,19-,20?,21-,22+,23?,24?,25?,26+,27+,28?,31+,32+,33-,34+,35-,36-/m1/s1 |
| InChIKey | CFDNGAGSXAPVLK-JCHQLCRVSA-N |
| Mol Weight | 696.8 g/mol |
| Molecular Formula | C36H56O13 |
| Exact Mass | 696.372092 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HdzbTHIA4ty |
|---|---|
| Name | Trachelosperoside-C-1 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C36H56O13 |
| InChI | InChI=1S/C36H56O13/c1-17-8-11-35(30(46)49-28-25(42)24(41)23(40)20(15-37)48-28)13-12-32(3)18(26(35)34(17,5)47)6-7-21-31(2)14-19(39)27(43)36(16-38,29(44)45)22(31)9-10-33(21,32)4/h6,17,19-28,37-43,47H,7-16H2,1-5H3,(H,44,45)/t17-,19-,20?,21-,22+,23?,24?,25?,26+,27+,28?,31+,32+,33-,34+,35-,36-/m1/s1 |
| InChIKey | CFDNGAGSXAPVLK-JCHQLCRVSA-N |
| Instrument Name | SF = 400 MHz |
| Literature Reference | Chem. Pharm. Bull. 35, 1748 (1987). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | Pyridine-D5 |