| SpectraBase Compound ID | 6Iye8PtcY2J |
|---|---|
| InChI | InChI=1S/C23H30O2/c1-22-11-4-3-5-16(22)6-7-17-19-9-8-18(15-13-21(24)25-14-15)23(19,2)12-10-20(17)22/h3,5,9,13,16-18,20H,4,6-8,10-12,14H2,1-2H3 |
| InChIKey | HKDLNIGWSYCXGU-UHFFFAOYSA-N |
| Mol Weight | 338.49 g/mol |
| Molecular Formula | C23H30O2 |
| Exact Mass | 338.22458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JkQAthC1Zru |
|---|---|
| Name | Digitoxigenin -2H2O @P1146 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.224580204 u |
| Formula | C23H30O2 |
| InChI | InChI=1S/C23H30O2/c1-22-11-4-3-5-16(22)6-7-17-19-9-8-18(15-13-21(24)25-14-15)23(19,2)12-10-20(17)22/h3,5,9,13,16-18,20H,4,6-8,10-12,14H2,1-2H3 |
| InChIKey | HKDLNIGWSYCXGU-UHFFFAOYSA-N |
| Molecular Weight | 338.491 g/mol |
| SMILES | C12(C(C3CCC4C(C3CC2)(CCC=C4)C)=CCC1C1=CC(=O)OC1)C |