| SpectraBase Compound ID | pEQifMnn2d |
|---|---|
| InChI | InChI=1S/C36H56O14/c1-17-29(50-31-27(41)26(40)25(39)22(14-37)49-31)30(44-3)28(42)32(47-17)48-19-6-9-33(2)18(12-19)4-5-21-20(33)7-10-34-15-46-35(13-24(38)45-16-35)23(34)8-11-36(21,34)43/h17-23,25-32,37,39-43H,4-16H2,1-3H3/t17-,18?,19-,20?,21?,22+,23?,25+,26-,27+,28-,29-,30-,31-,32+,33-,34-,35-,36-/m1/s1 |
| InChIKey | UMTVXISMEAIITJ-CLQFYMLRSA-N |
| Mol Weight | 712.8 g/mol |
| Molecular Formula | C36H56O14 |
| Exact Mass | 712.367006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IHzZnwu8BdZ |
|---|---|
| Name | (20S)-18,20-EPOXY-DIGITOXIGENIN beta-D-GLUCOSYL-(1-4)-alpha-L-THEVETOSIDE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C36H56O14 |
| InChI | InChI=1S/C36H56O14/c1-17-29(50-31-27(41)26(40)25(39)22(14-37)49-31)30(44-3)28(42)32(47-17)48-19-6-9-33(2)18(12-19)4-5-21-20(33)7-10-34-15-46-35(13-24(38)45-16-35)23(34)8-11-36(21,34)43/h17-23,25-32,37,39-43H,4-16H2,1-3H3/t17-,18?,19-,20?,21?,22+,23?,25+,26-,27+,28-,29-,30-,31-,32+,33-,34-,35-,36-/m1/s1 |
| InChIKey | UMTVXISMEAIITJ-CLQFYMLRSA-N |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |