| SpectraBase Compound ID | 3TBj50Ybk6y |
|---|---|
| InChI | InChI=1S/C45H72O16/c1-19-9-14-45(54-18-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(34(50)32(48)29(17-46)58-42)60-41-37(53)35(51)38(22(4)56-41)59-40-36(52)33(49)31(47)21(3)55-40/h7,19-22,24-42,46-53H,8-18H2,1-6H3/t19?,20?,21-,22-,24?,25?,26?,27?,28?,29?,30?,31-,32?,33-,34?,35+,36+,37+,38-,39?,40-,41+,42?,43?,44?,45?/m0/s1 |
| InChIKey | HHNXENJXGVOLKE-PSRADYOESA-N |
| Mol Weight | 869.1 g/mol |
| Molecular Formula | C45H72O16 |
| Exact Mass | 868.482036 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8sLs7LtEDY6 |
|---|---|
| Name | Dioscin |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C45H72O16 |
| InChI | InChI=1S/C45H72O16/c1-19-9-14-45(54-18-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(34(50)32(48)29(17-46)58-42)60-41-37(53)35(51)38(22(4)56-41)59-40-36(52)33(49)31(47)21(3)55-40/h7,19-22,24-42,46-53H,8-18H2,1-6H3/t19?,20?,21-,22-,24?,25?,26?,27?,28?,29?,30?,31-,32?,33-,34?,35+,36+,37+,38-,39?,40-,41+,42?,43?,44?,45?/m0/s1 |
| InChIKey | HHNXENJXGVOLKE-PSRADYOESA-N |
| Instrument Name | Varian XL-100 |
| Literature Reference | O. Espejo, J. Llavot, Phytochem. 21, 413 (1982). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | Pyridine-D5 |