| SpectraBase Compound ID | JcCrnrYwV5E |
|---|---|
| InChI | InChI=1S/C20H36O6S/c1-3-4-7-10-15(21)14-27(25)20-16(17(22)13-18(20)23)11-8-5-6-9-12-19(24)26-2/h5,8,15-18,20-23H,3-4,6-7,9-14H2,1-2H3/b8-5-/t15-,16+,17+,18-,20-,27?/m1/s1 |
| InChIKey | MHWWXDBDKOBEAD-WNQIZGTLSA-N |
| Mol Weight | 404.6 g/mol |
| Molecular Formula | C20H36O6S |
| Exact Mass | 404.22326 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Blqpum7LIp2 |
|---|---|
| Name | 13,14-Dihydro-13-thiaprostaglandin-F(2.alpha.) - S-Oxide - Methyl Ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H36O6S |
| InChI | InChI=1S/C20H36O6S/c1-3-4-7-10-15(21)14-27(25)20-16(17(22)13-18(20)23)11-8-5-6-9-12-19(24)26-2/h5,8,15-18,20-23H,3-4,6-7,9-14H2,1-2H3/b8-5-/t15-,16+,17+,18-,20-,27?/m1/s1 |
| InChIKey | MHWWXDBDKOBEAD-WNQIZGTLSA-N |
| Molecular Weight | 404.562 g/mol |
| SMILES | O[C@@]1([C@@]([C@]([C@@](C1)(O)[H])(S(C[C@](O)(CCCCC)[H])=O)[H])(C\C=C/CCCC(=O)OC)[H])[H] |
| SPLASH | splash10-000b-9771000000-1a142fd9d40158ff6013 |
| Source of Spectrum | F2-113-123-14 |
| Wiley ID | 1549551 |