| SpectraBase Compound ID | 7xwaQ6T0H78 |
|---|---|
| InChI | InChI=1S/C43H68O18/c1-20-8-11-42(36(54)61-34-30(52)27(49)23(48)18-58-34)13-12-39(3)21(32(42)41(20,5)56)6-7-25-38(2)16-22(47)33(60-35-31(53)29(51)28(50)24(17-45)59-35)43(19-46,37(55)57-15-14-44)26(38)9-10-40(25,39)4/h6,20,22-35,44-53,56H,7-19H2,1-5H3/t20-,22?,23?,24?,25-,26?,27?,28?,29?,30?,31?,32+,33?,34?,35?,38?,39+,40+,41+,42-,43?/m1/s1 |
| InChIKey | PBWHDKBWUQBGCO-OPEJHURTSA-N |
| Mol Weight | 873.0 g/mol |
| Molecular Formula | C43H68O18 |
| Exact Mass | 872.440565 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jwn3iEqs6qk |
|---|---|
| Name | Trachelosperoside-C-2-methylester |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C43H68O18 |
| InChI | InChI=1S/C43H68O18/c1-20-8-11-42(36(54)61-34-30(52)27(49)23(48)18-58-34)13-12-39(3)21(32(42)41(20,5)56)6-7-25-38(2)16-22(47)33(60-35-31(53)29(51)28(50)24(17-45)59-35)43(19-46,37(55)57-15-14-44)26(38)9-10-40(25,39)4/h6,20,22-35,44-53,56H,7-19H2,1-5H3/t20-,22?,23?,24?,25-,26?,27?,28?,29?,30?,31?,32+,33?,34?,35?,38?,39+,40+,41+,42-,43?/m1/s1 |
| InChIKey | PBWHDKBWUQBGCO-OPEJHURTSA-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 |