| SpectraBase Compound ID | Gzp1X3y4VYf |
|---|---|
| InChI | InChI=1S/C28H34F6O7/c1-3-15-5-4-6-22(41-26(38)28(32,33)34)13(2)24(36)21-11-19-17(20(21)12-23(35)39-15)8-7-14-9-16(10-18(14)19)40-25(37)27(29,30)31/h7-8,13-22H,3-6,9-12H2,1-2H3/t13-,14-,15+,16-,17-,18-,19-,20+,21+,22+/m1/s1 |
| InChIKey | LOJQPRKVXBQVQU-SRKDTECDSA-N |
| Mol Weight | 596.6 g/mol |
| Molecular Formula | C28H34F6O7 |
| Exact Mass | 596.220872 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | VbZly3w666 |
|---|---|
| Name | 9-ALPHA,17-ALPHA-BIS-(TRIFLUOROACETOXY)-13,14-ALPHA-DIHYDRO-A-83543A-AGLYCON |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H34F6O7 |
| InChI | InChI=1S/C28H34F6O7/c1-3-15-5-4-6-22(41-26(38)28(32,33)34)13(2)24(36)21-11-19-17(20(21)12-23(35)39-15)8-7-14-9-16(10-18(14)19)40-25(37)27(29,30)31/h7-8,13-22H,3-6,9-12H2,1-2H3/t13-,14-,15+,16-,17-,18-,19-,20+,21+,22+/m1/s1 |
| InChIKey | LOJQPRKVXBQVQU-SRKDTECDSA-N |
| Literature Reference Author | J.G.MARTYNOW,H.A.KIRST |
| Literature Reference Citation | J.ORG.CHEM.,59,1548(1994) |
| Literature Reference DOI | 10.1021/jo00085a049 |
| Molecular Weight | 596.564 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP5169 |