| SpectraBase Compound ID | 9KQf4GXyToU |
|---|---|
| InChI | InChI=1S/C35H54O12/c1-16-28(39)29(40)30(41)32(45-16)47-31-17(2)44-27(14-24(31)36)46-20-7-9-33(3)19(12-20)5-6-22-23(33)13-25(37)34(4)21(8-10-35(22,34)42)18-11-26(38)43-15-18/h11,16-17,19-25,27-32,36-37,39-42H,5-10,12-15H2,1-4H3/t16?,17-,19?,20?,21?,22?,23?,24+,25?,27-,28?,29?,30?,31+,32?,33?,34?,35?/m1/s1 |
| InChIKey | FSKRCOPPXZHDSV-QXHAFGAJSA-N |
| Mol Weight | 666.8 g/mol |
| Molecular Formula | C35H54O12 |
| Exact Mass | 666.361527 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HNEiq3u8tZh |
|---|---|
| Name | Digoxigenin digitoxosido-glucomethyloside |
| Comments | CD3OD/CDCL3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C35H54O12 |
| InChI | InChI=1S/C35H54O12/c1-16-28(39)29(40)30(41)32(45-16)47-31-17(2)44-27(14-24(31)36)46-20-7-9-33(3)19(12-20)5-6-22-23(33)13-25(37)34(4)21(8-10-35(22,34)42)18-11-26(38)43-15-18/h11,16-17,19-25,27-32,36-37,39-42H,5-10,12-15H2,1-4H3/t16?,17-,19?,20?,21?,22?,23?,24+,25?,27-,28?,29?,30?,31+,32?,33?,34?,35?/m1/s1 |
| InChIKey | FSKRCOPPXZHDSV-QXHAFGAJSA-N |
| Instrument Name | Bruker WH-400 |
| Literature Reference | D. Krueger, M. Wichtl, Planta Medica 50, 168 (1984). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | Mixture |