| SpectraBase Compound ID | 5mBoBxj6czo |
|---|---|
| InChI | InChI=1S/C19H30O/c1-13-7-8-15-18(4)11-6-10-17(2,3)14(18)9-12-19(15,5)16(13)20/h7,14-15H,6,8-12H2,1-5H3/t14?,15?,18-,19+/m0/s1 |
| InChIKey | CVJBWVSCSYHXJI-QIRNKGDASA-N |
| Mol Weight | 274.45 g/mol |
| Molecular Formula | C19H30O |
| Exact Mass | 274.229666 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 62sjQLuMXb2 |
|---|---|
| Name | 14-nor-Isoagath-12-en-14-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.229665585 u |
| Formula | C19H30O |
| InChI | InChI=1S/C19H30O/c1-13-7-8-15-18(4)11-6-10-17(2,3)14(18)9-12-19(15,5)16(13)20/h7,14-15H,6,8-12H2,1-5H3/t14?,15?,18-,19+/m0/s1 |
| InChIKey | CVJBWVSCSYHXJI-QIRNKGDASA-N |
| SMILES | [C@]12(C([C@]3(CCCC(C3CC2)(C)C)C)CC=C(C1=O)C)C |