| SpectraBase Compound ID | CXtTFHCgFZg |
|---|---|
| InChI | InChI=1S/C21H38O6S/c1-4-5-10-13-21(2,25)15-28(26)20-16(17(22)14-18(20)23)11-8-6-7-9-12-19(24)27-3/h6,8,16-18,20,22-23,25H,4-5,7,9-15H2,1-3H3/b8-6-/t16-,17-,18+,20+,21+,28?/m0/s1 |
| InChIKey | NGMDBSSXTQMZJM-SPCMQDAXSA-N |
| Mol Weight | 418.6 g/mol |
| Molecular Formula | C21H38O6S |
| Exact Mass | 418.23891 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1r02v0eM2DN |
|---|---|
| Name | 13,14-Dihydro-15-methyl-13-thiaprostaglandin-F(2.alpha.) - S-Oxide - Methyl Ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H38O6S |
| InChI | InChI=1S/C21H38O6S/c1-4-5-10-13-21(2,25)15-28(26)20-16(17(22)14-18(20)23)11-8-6-7-9-12-19(24)27-3/h6,8,16-18,20,22-23,25H,4-5,7,9-15H2,1-3H3/b8-6-/t16-,17-,18+,20+,21+,28?/m0/s1 |
| InChIKey | NGMDBSSXTQMZJM-SPCMQDAXSA-N |
| Molecular Weight | 418.589 g/mol |
| SMILES | O[C@@]1([C@@]([C@]([C@@](C1)(O)[H])(S(C[C@](O)(CCCCC)C)=O)[H])(C\C=C/CCCC(=O)OC)[H])[H] |
| SPLASH | splash10-052f-9300000000-0d89dd6a01a26a54c7b3 |
| Source of Spectrum | F2-113-123-14 |
| Wiley ID | 1549549 |