| SpectraBase Compound ID | 7baiEw4EkXR |
|---|---|
| InChI | InChI=1S/C48H78O18/c1-22-30(52)32(54)36(58)40(62-22)66-38-24(19-60-39-35(57)33(55)31(53)23(18-49)63-39)64-41(37(59)34(38)56)65-29-10-11-43(4)25(44(29,5)20-50)8-12-45(6)26(43)9-13-48-27-16-42(2,3)14-15-47(27,21-61-48)28(51)17-46(45,48)7/h9,13,22-41,49-59H,8,10-12,14-21H2,1-7H3/t22?,23?,24?,25?,26-,27+,28-,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,43?,44?,45-,46+,47+,48-/m1/s1 |
| InChIKey | ZDKCXSMMRXSSDE-JCCFDLFESA-N |
| Mol Weight | 943.1 g/mol |
| Molecular Formula | C48H78O18 |
| Exact Mass | 942.518816 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5yJQuJH92D5 |
|---|---|
| Name | Chikusaikoside-ii |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C48H78O18 |
| InChI | InChI=1S/C48H78O18/c1-22-30(52)32(54)36(58)40(62-22)66-38-24(19-60-39-35(57)33(55)31(53)23(18-49)63-39)64-41(37(59)34(38)56)65-29-10-11-43(4)25(44(29,5)20-50)8-12-45(6)26(43)9-13-48-27-16-42(2,3)14-15-47(27,21-61-48)28(51)17-46(45,48)7/h9,13,22-41,49-59H,8,10-12,14-21H2,1-7H3/t22?,23?,24?,25?,26-,27+,28-,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,43?,44?,45-,46+,47+,48-/m1/s1 |
| InChIKey | ZDKCXSMMRXSSDE-JCCFDLFESA-N |
| Instrument Name | SF = 100 MHz |
| Literature Reference | Chem. Pharm. Bull. 34, 1158 (1986). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | Pyridine-D5 |