| SpectraBase Compound ID | 7mUtQKXSUdg |
|---|---|
| InChI | InChI=1S/C25H41O8P/c1-5-6-9-12-21(31-18(2)26)14-15-23-22(13-10-7-8-11-16-34(29)30)24(32-19(3)27)17-25(23)33-20(4)28/h7,10,14-15,21-25,34H,5-6,8-9,11-13,16-17H2,1-4H3,(H,29,30)/b10-7-,15-14+/t21-,22+,23+,24-,25+/m0/s1 |
| InChIKey | JCPXHOBERCBDFR-SPNOMJJOSA-N |
| Mol Weight | 500.6 g/mol |
| Molecular Formula | C25H41O8P |
| Exact Mass | 500.253905 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GoQwxLKsgbr |
|---|---|
| Name | 2-Decarboxy-2-phosphinico-prostaglandin-F(2-alpha)-triacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 500.253905270 u |
| Formula | C25H41O8P |
| InChI | InChI=1S/C25H41O8P/c1-5-6-9-12-21(31-18(2)26)14-15-23-22(13-10-7-8-11-16-34(29)30)24(32-19(3)27)17-25(23)33-20(4)28/h7,10,14-15,21-25,34H,5-6,8-9,11-13,16-17H2,1-4H3,(H,29,30)/b10-7-,15-14+/t21-,22+,23+,24-,25+/m0/s1 |
| InChIKey | JCPXHOBERCBDFR-SPNOMJJOSA-N |
| Molecular Weight | 500.569 g/mol |
| Nominal Mass | 500 u |
| SMILES | [C@](OC(=O)C)(\C=C\[C@@]1([C@]([C@](C[C@]1(OC(=O)C)[H])(OC(=O)C)[H])(C\C=C/CCCP(=O)O)[H])[H])(CCCCC)[H] |