| SpectraBase Compound ID | Ayp1Se7l8rN |
|---|---|
| InChI | InChI=1S/C21H33ClO5/c1-2-3-12-21(27,15-22)13-8-10-17-16(18(23)14-19(17)24)9-6-4-5-7-11-20(25)26/h4,6,8,10,16-17,19,24,27H,2-3,5,7,9,11-15H2,1H3,(H,25,26)/b6-4+,10-8+ |
| InChIKey | JGKNMSJSEOOKBH-ONNLMXTPSA-N |
| Mol Weight | 400.9 g/mol |
| Molecular Formula | C21H33ClO5 |
| Exact Mass | 400.201652 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7IpYLCPebaz |
|---|---|
| Name | DL-15-Deoxy-16-hydroxy-16-(chloromethyl)-prostaglandin-E2,epimer-1 |
| CAS Registry Number | 73397-66-7 |
| Comments | broad-band decoupling (BB) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C21H33ClO5 |
| InChI | InChI=1S/C21H33ClO5/c1-2-3-12-21(27,15-22)13-8-10-17-16(18(23)14-19(17)24)9-6-4-5-7-11-20(25)26/h4,6,8,10,16-17,19,24,27H,2-3,5,7,9,11-15H2,1H3,(H,25,26)/b6-4+,10-8+ |
| InChIKey | JGKNMSJSEOOKBH-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 |