| SpectraBase Compound ID | 6rMFMdHl1bX |
|---|---|
| InChI | InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1 |
| InChIKey | RJKFOVLPORLFTN-LEKSSAKUSA-N |
| Mol Weight | 314.47 g/mol |
| Molecular Formula | C21H30O2 |
| Exact Mass | 314.22458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 8ThvTGqDjig |
|---|---|
| Name | Progesterone |
| Acquisition Mode | SIMULTANEOUS |
| CAS Registry Number | 8023-13-0; 753497-20-0; 8012-32-6 |
| ChEBI ID | 17026 |
| Comments | Saturated Progesterone - Sigma-Aldrich Solvent CDCl3, temperature 298 K |
| Copyright | Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source | Madison Metabolomics Consortium |
| Formula | C21 H30 O2 |
| IUPAC Name | (8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one; (8S,9S,10R,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
| InChI | InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1 |
| InChIKey | RJKFOVLPORLFTN-LEKSSAKUSA-N |
| KEGG Compound ID | C00410 |
| PubChem Compound ID | 5994 |
| SMILES | CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C; CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C |
| Source File Reference | bmse000482 |