| SpectraBase Compound ID | 9FclQ9JPUN7 |
|---|---|
| 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/t13-,15-,16+,18+,19+,20-/m1/s1 |
| InChIKey | HQLLRHCTVDVUJB-OBHOOXMTSA-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 | GwdpScgC1fc |
|---|---|
| Name | MARRUBIIN |
| CAS Registry Number | 83997-35-7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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/t13-,15-,16+,18+,19+,20-/m1/s1 |
| InChIKey | HQLLRHCTVDVUJB-OBHOOXMTSA-N |
| Literature Reference Author | S.O.ALMQVIST,C.R.ENZELL,F.W.WEHRLI |
| Literature Reference Citation | ACTA.CHEM.SCAND.,B29,695(1975) |
| Literature Reference DOI | 10.3891/acta.chem.scand.29b-0695 |
| Molecular Weight | 332.440 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW11529 |