| SpectraBase Compound ID | A3w4BNLsuGU |
|---|---|
| InChI | InChI=1S/C25H32O4S/c1-2-3-4-5-12-17-23(30-20-14-9-8-10-15-20)22-19-29-25(28)21(22)16-11-6-7-13-18-24(26)27/h8-10,12,14-15,17,21-23H,2-5,7,13,16,18-19H2,1H3,(H,26,27)/b17-12+/t21-,22+,23+/m1/s1 |
| InChIKey | LAGBWOFLUATCKU-DFXROPGPSA-N |
| Mol Weight | 428.6 g/mol |
| Molecular Formula | C25H32O4S |
| Exact Mass | 428.202131 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K5FxUyBAoQd |
|---|---|
| Name | (8R*,12R*,13S*,14E)-9-OXO-13-(PHENYLTHIO)-10-OXA-PROST-14-EN-5-YNOIC-ACID |
| Compound Number | 22 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H32O4S |
| InChI | InChI=1S/C25H32O4S/c1-2-3-4-5-12-17-23(30-20-14-9-8-10-15-20)22-19-29-25(28)21(22)16-11-6-7-13-18-24(26)27/h8-10,12,14-15,17,21-23H,2-5,7,13,16,18-19H2,1H3,(H,26,27)/b17-12+/t21-,22+,23+/m1/s1 |
| InChIKey | LAGBWOFLUATCKU-DFXROPGPSA-N |
| Literature Reference Author | R.K.HAYNES,P.A.SCHOBER |
| Literature Reference Citation | AUSTR.J.CHEM.,40,1249(1987) |
| Literature Reference DOI | 10.1071/ch9871249 |
| Molecular Weight | 428.587 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWWR59 |