| SpectraBase Compound ID | LL25VZlG4On |
|---|---|
| InChI | InChI=1S/C36H56O12/c1-17-9-12-36(30(45)48-28-25(41)24(40)23(39)20(16-37)47-28)14-13-32(3)18(26(36)35(17,6)46)7-8-21-31(2)15-19(38)27(42)34(5,29(43)44)22(31)10-11-33(21,32)4/h7,17,19-28,37-42,46H,8-16H2,1-6H3,(H,43,44)/t17-,19?,20?,21-,22?,23?,24?,25?,26+,27?,28?,31?,32+,33+,34?,35+,36-/m1/s1 |
| InChIKey | YXSQSVWHKZZWDD-HIALOFHOSA-N |
| Mol Weight | 680.8 g/mol |
| Molecular Formula | C36H56O12 |
| Exact Mass | 680.377177 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1SffmSLeVDV |
|---|---|
| Name | Trachelosperoside-A-1 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C36H56O12 |
| InChI | InChI=1S/C36H56O12/c1-17-9-12-36(30(45)48-28-25(41)24(40)23(39)20(16-37)47-28)14-13-32(3)18(26(36)35(17,6)46)7-8-21-31(2)15-19(38)27(42)34(5,29(43)44)22(31)10-11-33(21,32)4/h7,17,19-28,37-42,46H,8-16H2,1-6H3,(H,43,44)/t17-,19?,20?,21-,22?,23?,24?,25?,26+,27?,28?,31?,32+,33+,34?,35+,36-/m1/s1 |
| InChIKey | YXSQSVWHKZZWDD-HIALOFHOSA-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 |