| 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 | wx1egWfWSD |
|---|---|
| Name | DL-15-DEOXY-16-HYDROXY-16-(CHLOROMETHYL)-PROSTAGLANDIN-E2,EPIMER-2 |
| CAS Registry Number | 73397-67-8 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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 |
| Literature Reference Author | S.M.L.CHEN,C.V.GRUDZINSKAS |
| Literature Reference Citation | J.ORG.CHEM.,45,2278(1980) |
| Literature Reference DOI | 10.1021/jo01300a002 |
| Molecular Weight | 400.943 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW17572 |