| SpectraBase Compound ID | GYoen6zRNuO |
|---|---|
| InChI | InChI=1S/C48H78O16/c1-22-30(51)33(54)36(57)39(59-22)63-38-35(56)32(53)24(20-49)61-41(38)64-37-34(55)31(52)23(2)60-40(37)62-29-12-13-44(7)25(43(29,5)6)10-14-45(8)26(44)11-15-48-27-18-42(3,4)16-17-47(27,21-58-48)28(50)19-46(45,48)9/h11,15,22-41,49-57H,10,12-14,16-21H2,1-9H3/t22?,23?,24?,25?,26-,27+,28-,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,44?,45-,46+,47+,48-/m1/s1 |
| InChIKey | HMEMJYQIFNQSFR-GZRVSABISA-N |
| Mol Weight | 911.1 g/mol |
| Molecular Formula | C48H78O16 |
| Exact Mass | 910.528986 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FIAezRxi4ri |
|---|---|
| Name | Rotundioside-F |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C48H78O16 |
| InChI | InChI=1S/C48H78O16/c1-22-30(51)33(54)36(57)39(59-22)63-38-35(56)32(53)24(20-49)61-41(38)64-37-34(55)31(52)23(2)60-40(37)62-29-12-13-44(7)25(43(29,5)6)10-14-45(8)26(44)11-15-48-27-18-42(3,4)16-17-47(27,21-58-48)28(50)19-46(45,48)9/h11,15,22-41,49-57H,10,12-14,16-21H2,1-9H3/t22?,23?,24?,25?,26-,27+,28-,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,44?,45-,46+,47+,48-/m1/s1 |
| InChIKey | HMEMJYQIFNQSFR-GZRVSABISA-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 |