| SpectraBase Compound ID | CNWIjs1gFa2 |
|---|---|
| InChI | InChI=1S/C19H30O/c1-12-3-8-18-17-6-4-13-11-14(20)5-7-15(13)16(17)9-10-19(12,18)2/h12-13,15-18H,3-11H2,1-2H3/t12-,13?,15-,16?,17?,18?,19+/m0/s1 |
| InChIKey | SDEVZFCBNSNEQI-BMQOUVJXSA-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 | K6G1mbHvDi8 |
|---|---|
| Name | 17.beta.-Methylestra-3-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/c1-12-3-8-18-17-6-4-13-11-14(20)5-7-15(13)16(17)9-10-19(12,18)2/h12-13,15-18H,3-11H2,1-2H3/t12-,13?,15-,16?,17?,18?,19+/m0/s1 |
| InChIKey | SDEVZFCBNSNEQI-BMQOUVJXSA-N |
| SMILES | [C@@]12(C(C3CCC4[C@@](C3CC2)(CCC(=O)C4)[H])CC[C@@]1(C)[H])C |