| SpectraBase Compound ID | CbaqSEha9u0 |
|---|---|
| InChI | InChI=1S/C26H34O6S/c1-3-4-5-6-13-18-24(33(29,30)21-15-10-9-11-16-21)23-20-32-26(28)22(23)17-12-7-8-14-19-25(27)31-2/h9-11,13,15-16,18,22-24H,3-6,8,14,17,19-20H2,1-2H3/b18-13+/t22-,23?,24?/m0/s1 |
| InChIKey | XLVFBJFPNYTXJC-QFMMTKRMSA-N |
| Mol Weight | 474.6 g/mol |
| Molecular Formula | C26H34O6S |
| Exact Mass | 474.20761 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1tYJ9ScJM10 |
|---|---|
| Name | METHYL-13-(BENZENESULFONYL)-9-OXO-10-OXA-PROST-14-EN-5-YNOATE |
| Compound Number | 18 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H34O6S |
| InChI | InChI=1S/C26H34O6S/c1-3-4-5-6-13-18-24(33(29,30)21-15-10-9-11-16-21)23-20-32-26(28)22(23)17-12-7-8-14-19-25(27)31-2/h9-11,13,15-16,18,22-24H,3-6,8,14,17,19-20H2,1-2H3/b18-13+/t22-,23?,24?/m0/s1 |
| InChIKey | XLVFBJFPNYTXJC-QFMMTKRMSA-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 | 474.612 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWWR53 |