| SpectraBase Compound ID | APBvkvnS1hd |
|---|---|
| InChI | InChI=1S/C47H76O16/c1-22-30(51)33(54)36(63-40-37(34(55)32(53)24(19-48)60-40)62-38-35(56)31(52)23(49)20-57-38)39(59-22)61-29-11-12-43(6)25(42(29,4)5)9-13-44(7)26(43)10-14-47-27-17-41(2,3)15-16-46(27,21-58-47)28(50)18-45(44,47)8/h10,14,22-40,48-56H,9,11-13,15-21H2,1-8H3/t22?,23?,24?,25?,26-,27+,28-,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,43?,44+,45-,46+,47-/m1/s1 |
| InChIKey | LOMHITWHYXGWQO-FJXPJSJZSA-N |
| Mol Weight | 897.1 g/mol |
| Molecular Formula | C47H76O16 |
| Exact Mass | 896.513336 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JzpFIjyNO4R |
|---|---|
| Name | Rotundioside-G |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C47H76O16 |
| InChI | InChI=1S/C47H76O16/c1-22-30(51)33(54)36(63-40-37(34(55)32(53)24(19-48)60-40)62-38-35(56)31(52)23(49)20-57-38)39(59-22)61-29-11-12-43(6)25(42(29,4)5)9-13-44(7)26(43)10-14-47-27-17-41(2,3)15-16-46(27,21-58-47)28(50)18-45(44,47)8/h10,14,22-40,48-56H,9,11-13,15-21H2,1-8H3/t22?,23?,24?,25?,26-,27+,28-,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,43?,44+,45-,46+,47-/m1/s1 |
| InChIKey | LOMHITWHYXGWQO-FJXPJSJZSA-N |
| Instrument Name | SF = 100 MHz |
| Literature Reference | Chem. Pharm. Bull. 33, 4685 (1985). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | Pyridine-D5 |