| SpectraBase Compound ID | JRiJxkqKM6K |
|---|---|
| InChI | InChI=1S/C21H36O5S/c1-4-5-8-11-21(2,24)14-27-20-16-12-15(26-18(16)13-17(20)22)9-6-7-10-19(23)25-3/h9,16-18,20,22,24H,4-8,10-14H2,1-3H3/b15-9-/t16?,17-,18?,20-,21+/m1/s1 |
| InChIKey | FVYGRKHWHDKGIW-LUYYXWPCSA-N |
| Mol Weight | 400.6 g/mol |
| Molecular Formula | C21H36O5S |
| Exact Mass | 400.228345 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1hD85P3mv57 |
|---|---|
| Name | 13,14-Dihydro-15-methyl-13-thiaprostacyclin - Methyl Ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H36O5S |
| InChI | InChI=1S/C21H36O5S/c1-4-5-8-11-21(2,24)14-27-20-16-12-15(26-18(16)13-17(20)22)9-6-7-10-19(23)25-3/h9,16-18,20,22,24H,4-8,10-14H2,1-3H3/b15-9-/t16?,17-,18?,20-,21+/m1/s1 |
| InChIKey | FVYGRKHWHDKGIW-LUYYXWPCSA-N |
| Molecular Weight | 400.574 g/mol |
| SMILES | O[C@](CS[C@]1([C@@](CC2C1C\C(O2)=C\CCCC(=O)OC)(O)[H])[H])(CCCCC)C |
| SPLASH | splash10-0c0c-3961000000-68cb6ec61b0d942496e2 |
| Source of Spectrum | F2-113-126-1 |
| Wiley ID | 1549603 |