| SpectraBase Compound ID | JXJBXhzpDrm |
|---|---|
| InChI | InChI=1S/C20H28O3/c1-13-7-8-16-12-17(21)20(4)10-5-6-15(18(22)23-20)9-11-19(13,3)14(16)2/h6,13,16H,2,5,7-12H2,1,3-4H3/t13?,16?,19?,20-/m1/s1 |
| InChIKey | JPRLYBYTMFRZGZ-NJAGXJHESA-N |
| Mol Weight | 316.44 g/mol |
| Molecular Formula | C20H28O3 |
| Exact Mass | 316.203845 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DqYbXEuUgTF |
|---|---|
| Name | Cleomeolide ketone |
| CAS Registry Number | 72190-22-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H28O3 |
| InChI | InChI=1S/C20H28O3/c1-13-7-8-16-12-17(21)20(4)10-5-6-15(18(22)23-20)9-11-19(13,3)14(16)2/h6,13,16H,2,5,7-12H2,1,3-4H3/t13?,16?,19?,20-/m1/s1 |
| InChIKey | JPRLYBYTMFRZGZ-NJAGXJHESA-N |
| Molecular Weight | 316.441 g/mol |
| SMILES | C1C(C2(C(C(C1)CC([C@]1(CCC=C(C(=O)O1)CC2)C)=O)=C)C)C |
| SPLASH | splash10-060u-3940000000-5145ed57ea76cf4a7ada |
| Source of Spectrum | C-101-4723-0 |
| Wiley ID | 1317057 |