| SpectraBase Compound ID | FrPEmmVXm7C |
|---|---|
| InChI | InChI=1S/C20H28O4/c1-13-11-15-16-18(2,17(21)24-15)7-4-8-19(16,3)20(13,22)9-5-14-6-10-23-12-14/h6,10,12-13,15-16,22H,4-5,7-9,11H2,1-3H3 |
| InChIKey | HQLLRHCTVDVUJB-UHFFFAOYSA-N |
| Mol Weight | 332.44 g/mol |
| Molecular Formula | C20H28O4 |
| Exact Mass | 332.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E60QdKYWSba |
|---|---|
| Name | Marrubiin |
| CAS Registry Number | 465-92-9 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C20H28O4 |
| InChI | InChI=1S/C20H28O4/c1-13-11-15-16-18(2,17(21)24-15)7-4-8-19(16,3)20(13,22)9-5-14-6-10-23-12-14/h6,10,12-13,15-16,22H,4-5,7-9,11H2,1-3H3 |
| InChIKey | HQLLRHCTVDVUJB-UHFFFAOYSA-N |
| Instrument Name | Jeol PS-100 |
| Literature Reference | G. Savona, F. Piozzi, J.R. Hanson, J. Chem. Soc. Perkin I 1607 (1976). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |