| SpectraBase Compound ID | 4dAJB9mt3dh |
|---|---|
| InChI | InChI=1S/C22H32/c1-15(2)18-10-11-19-17-9-8-16-7-5-6-13-21(16,3)20(17)12-14-22(18,19)4/h5,7-8,17-20H,1,6,9-14H2,2-4H3/t17-,18+,19-,20-,21-,22+/m0/s1 |
| InChIKey | QYOFSRNNDITCLR-GFJXEVPCSA-N |
| Mol Weight | 296.5 g/mol |
| Molecular Formula | C22H32 |
| Exact Mass | 296.250401 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Fa2JuafetOK |
|---|---|
| Name | 20-Methylene-pregna-3,5-diene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.250401030 u |
| Formula | C22H32 |
| InChI | InChI=1S/C22H32/c1-15(2)18-10-11-19-17-9-8-16-7-5-6-13-21(16,3)20(17)12-14-22(18,19)4/h5,7-8,17-20H,1,6,9-14H2,2-4H3/t17-,18+,19-,20-,21-,22+/m0/s1 |
| InChIKey | QYOFSRNNDITCLR-GFJXEVPCSA-N |
| SMILES | [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CCC=C4)C)[H])(CC[C@@]1(C(=C)C)[H])[H])C |