| SpectraBase Compound ID | 45DuPH7vHPd |
|---|---|
| InChI | InChI=1S/C36H58O12/c1-18-8-11-35(30(45)48-29-26(43)25(42)24(41)21(15-37)47-29)13-12-32(3)19(27(35)34(18,5)46)6-7-22-31(2)14-20(40)28(44)36(16-38,17-39)23(31)9-10-33(22,32)4/h6,18,20-29,37-44,46H,7-17H2,1-5H3/t18-,20-,21?,22-,23+,24?,25?,26?,27+,28+,29?,31+,32+,33-,34+,35-/m1/s1 |
| InChIKey | PYVIEWYHDWMVSX-DGMBBGKQSA-N |
| Mol Weight | 682.8 g/mol |
| Molecular Formula | C36H58O12 |
| Exact Mass | 682.392827 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JAR1zwyXQK8 |
|---|---|
| Name | Trachelosperoside-B-1 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C36H58O12 |
| InChI | InChI=1S/C36H58O12/c1-18-8-11-35(30(45)48-29-26(43)25(42)24(41)21(15-37)47-29)13-12-32(3)19(27(35)34(18,5)46)6-7-22-31(2)14-20(40)28(44)36(16-38,17-39)23(31)9-10-33(22,32)4/h6,18,20-29,37-44,46H,7-17H2,1-5H3/t18-,20-,21?,22-,23+,24?,25?,26?,27+,28+,29?,31+,32+,33-,34+,35-/m1/s1 |
| InChIKey | PYVIEWYHDWMVSX-DGMBBGKQSA-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 |