| SpectraBase Compound ID | 5pjUA1EZIwR |
|---|---|
| InChI | InChI=1S/C22H30O3/c1-13(25-4)20-19(24)12-18-16-6-5-14-11-15(23)7-9-21(14,2)17(16)8-10-22(18,20)3/h11,16-18H,5-10,12H2,1-4H3/b20-13-/t16-,17+,18+,21+,22+/m1/s1 |
| InChIKey | WOVLRQSWILBDQL-HFVCXBPMSA-N |
| Mol Weight | 342.48 g/mol |
| Molecular Formula | C22H30O3 |
| Exact Mass | 342.219495 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LA5azi3vdy1 |
|---|---|
| Name | GUGGULSTERONE-M;20-METHOXY-4,17(20)-E-PREGNADIENE-3,16-DIONE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H30O3 |
| InChI | InChI=1S/C22H30O3/c1-13(25-4)20-19(24)12-18-16-6-5-14-11-15(23)7-9-21(14,2)17(16)8-10-22(18,20)3/h11,16-18H,5-10,12H2,1-4H3/b20-13-/t16-,17+,18+,21+,22+/m1/s1 |
| InChIKey | WOVLRQSWILBDQL-HFVCXBPMSA-N |
| Literature Reference Author | M.R.MESELHY |
| Literature Reference Citation | PHYTOCHEM.,62,213(2003) |
| Literature Reference DOI | 10.1016/S0031-9422(02)00388-6 |
| Molecular Weight | 342.478 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS28338 |