| SpectraBase Compound ID | HOqkvExQpGV |
|---|---|
| InChI | InChI=1S/C47H76O17/c1-22-30(52)36(63-40-37(33(55)32(54)24(18-48)61-40)64-38-34(56)31(53)23(50)19-58-38)35(57)39(60-22)62-29-10-11-42(4)25(43(29,5)20-49)8-12-44(6)26(42)9-13-47-27-16-41(2,3)14-15-46(27,21-59-47)28(51)17-45(44,47)7/h9,13,22-40,48-57H,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?,42?,43?,44-,45+,46+,47-/m1/s1 |
| InChIKey | IYPPVEBDQUKZPR-CDOGCBBXSA-N |
| Mol Weight | 913.1 g/mol |
| Molecular Formula | C47H76O17 |
| Exact Mass | 912.508251 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AqbhmaQmjKW |
|---|---|
| Name | Chikusaikoside-I |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C47H76O17 |
| InChI | InChI=1S/C47H76O17/c1-22-30(52)36(63-40-37(33(55)32(54)24(18-48)61-40)64-38-34(56)31(53)23(50)19-58-38)35(57)39(60-22)62-29-10-11-42(4)25(43(29,5)20-49)8-12-44(6)26(42)9-13-47-27-16-41(2,3)14-15-46(27,21-59-47)28(51)17-45(44,47)7/h9,13,22-40,48-57H,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?,42?,43?,44-,45+,46+,47-/m1/s1 |
| InChIKey | IYPPVEBDQUKZPR-CDOGCBBXSA-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 |