| SpectraBase Compound ID | FOWRozCIjLl |
|---|---|
| InChI | InChI=1S/C44H63F3O9/c1-27-17-20-35-40(8,24-21-34(39(6,7)55-35)53-37(50)43(51-11,44(45,46)47)30-15-13-12-14-16-30)31(27)18-19-32-41(9)25-22-33(52-28(2)48)38(4,5)56-36(41)23-26-42(32,10)54-29(3)49/h12-16,31-36H,1,17-26H2,2-11H3/t31-,32-,33-,34-,35+,36-,40+,41-,42+,43?/m1/s1 |
| InChIKey | DXWZKMQAERMCQV-LYFIYJNWSA-N |
| Mol Weight | 793.0 g/mol |
| Molecular Formula | C44H63F3O9 |
| Exact Mass | 792.442418 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6CCJmUCGCpQ |
|---|---|
| Name | 4-EPI-RASPACIONIN-(S)-MTPA-ESTER |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H63F3O9 |
| InChI | InChI=1S/C44H63F3O9/c1-27-17-20-35-40(8,24-21-34(39(6,7)55-35)53-37(50)43(51-11,44(45,46)47)30-15-13-12-14-16-30)31(27)18-19-32-41(9)25-22-33(52-28(2)48)38(4,5)56-36(41)23-26-42(32,10)54-29(3)49/h12-16,31-36H,1,17-26H2,2-11H3/t31-,32-,33-,34-,35+,36-,40+,41-,42+,43?/m1/s1 |
| InChIKey | DXWZKMQAERMCQV-LYFIYJNWSA-N |
| Literature Reference Author | G.CIMINO,R.DE.A.EPIFANIO,A.MADAIO,R.PULITI,E.TRIVELLONE |
| Literature Reference Citation | J.NAT.PROD.,56,1622(1993) |
| Literature Reference DOI | 10.1021/np50099a028 |
| Molecular Weight | 792.974 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS17934 |