| SpectraBase Compound ID | 6bceXaJA9BS |
|---|---|
| InChI | InChI=1S/C31H34O12/c1-38-19-9-4-17(5-10-19)6-11-21-14-23(42-31-29(36)28(35)27(34)24(16-32)43-31)26(30(37)41-21)22(15-25(33)40-3)18-7-12-20(39-2)13-8-18/h4-14,22,24,27-29,31-32,34-36H,15-16H2,1-3H3/b11-6+/t22?,24-,27-,28+,29-,31?/m0/s1 |
| InChIKey | DJXGLFZZGJMNBB-WTKPOWDASA-N |
| Mol Weight | 598.6 g/mol |
| Molecular Formula | C31H34O12 |
| Exact Mass | 598.205027 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EzidYXIrLBr |
|---|---|
| Name | 1,4',4-TRIMETHYL-E-IRESINOSIDE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C31H34O12 |
| InChI | InChI=1S/C31H34O12/c1-38-19-9-4-17(5-10-19)6-11-21-14-23(42-31-29(36)28(35)27(34)24(16-32)43-31)26(30(37)41-21)22(15-25(33)40-3)18-7-12-20(39-2)13-8-18/h4-14,22,24,27-29,31-32,34-36H,15-16H2,1-3H3/b11-6+/t22?,24-,27-,28+,29-,31?/m0/s1 |
| InChIKey | DJXGLFZZGJMNBB-WTKPOWDASA-N |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |