| SpectraBase Compound ID | H076daGdYI1 |
|---|---|
| InChI | InChI=1S/C21H32F2O5/c1-2-3-12-21(28,20(22)23)13-8-10-16-15(17(24)14-18(16)25)9-6-4-5-7-11-19(26)27/h4,6,8,10,15-16,18,20,25,28H,2-3,5,7,9,11-14H2,1H3,(H,26,27)/b6-4+,10-8+ |
| InChIKey | MKQXQVMBBBXUBL-ONNLMXTPSA-N |
| Mol Weight | 402.5 g/mol |
| Molecular Formula | C21H32F2O5 |
| Exact Mass | 402.22178 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | zmaVvR5BQh |
|---|---|
| Name | DL-15-Deoxy-16-hydroxy-16-(difluoromethyl)-prostaglandin-E2,epimer-2 |
| CAS Registry Number | 73397-63-4 |
| Comments | broad-band decoupling (BB) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C21H32F2O5 |
| InChI | InChI=1S/C21H32F2O5/c1-2-3-12-21(28,20(22)23)13-8-10-16-15(17(24)14-18(16)25)9-6-4-5-7-11-19(26)27/h4,6,8,10,15-16,18,20,25,28H,2-3,5,7,9,11-14H2,1H3,(H,26,27)/b6-4+,10-8+ |
| InChIKey | MKQXQVMBBBXUBL-ONNLMXTPSA-N |
| Instrument Name | SF = 080 MHz |
| Literature Reference | J. Org. Chem. 45, 2278 (1980). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |