| SpectraBase Compound ID | 5rXvHidJKWU |
|---|---|
| InChI | InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3 |
| InChIKey | LPMXVESGRSUGHW-UHFFFAOYSA-N |
| Mol Weight | 584.7 g/mol |
| Molecular Formula | C29H44O12 |
| Exact Mass | 584.283277 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JHYXLzqvIgP |
|---|---|
| Name | Ouabain |
| CAS Registry Number | 630-60-4 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C29H44O12 |
| InChI | InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3 |
| InChIKey | LPMXVESGRSUGHW-UHFFFAOYSA-N |
| Instrument Name | Bruker WH-90 |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | DMSO-D6 |