| SpectraBase Compound ID | 5ubtRc3Q2s5 |
|---|---|
| InChI | InChI=1S/C29H44O7/c1-16-26(32)23(30)14-25(35-16)36-19-6-9-27(2)18(13-19)4-5-22-21(27)7-10-28(3)20(8-11-29(22,28)33)17-12-24(31)34-15-17/h12,16,18-23,25-26,30,32-33H,4-11,13-15H2,1-3H3/t16-,18+,19+,20-,21?,22?,23+,25+,26-,27+,28-,29+/m1/s1 |
| InChIKey | NQOMDNMTNVQXRR-TXDXEXIKSA-N |
| Mol Weight | 504.7 g/mol |
| Molecular Formula | C29H44O7 |
| Exact Mass | 504.308704 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5nIhCaj4Uob |
|---|---|
| Name | Uzarigenin-3.beta.-O-Canaroside |
| Alternate Name(s) | Uzarigenin-3.beta.-O-Digitoxoside |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H44O7 |
| InChI | InChI=1S/C29H44O7/c1-16-26(32)23(30)14-25(35-16)36-19-6-9-27(2)18(13-19)4-5-22-21(27)7-10-28(3)20(8-11-29(22,28)33)17-12-24(31)34-15-17/h12,16,18-23,25-26,30,32-33H,4-11,13-15H2,1-3H3/t16-,18+,19+,20-,21?,22?,23+,25+,26-,27+,28-,29+/m1/s1 |
| InChIKey | NQOMDNMTNVQXRR-TXDXEXIKSA-N |
| Molecular Weight | 504.664 g/mol |
| SMILES | O[C@@]1([C@@]([C@](O[C@@](O[C@]2(CC[C@@]3(C4CC[C@]5([C@](CC[C@@]5(C5=CC(=O)OC5)[H])(C4CC[C@]3(C2)[H])O)C)C)[H])(C1)[H])(C)[H])(O)[H])[H] |
| SPLASH | splash10-0pbi-0259000000-87c178537fde9f01fb73 |
| Source of Spectrum | X2-53-169-3 |
| Wiley ID | 1603385 |