| SpectraBase Compound ID | 49CGNAAJQIb |
|---|---|
| InChI | InChI=1S/C39H51F3O7/c1-24(2)12-11-13-25(3)30-16-17-31(36(30,5)20-21-48-26(4)43)29-23-33(44)32-22-28(18-19-37(32,6)34(29)45)49-35(46)38(47-7,39(40,41)42)27-14-9-8-10-15-27/h8-10,14-15,22-25,28,30-31H,11-13,16-21H2,1-7H3/t25?,28-,30+,31-,36+,37+,38+/m1/s1 |
| InChIKey | QBNDMTPYQKZMFF-UDJBMOMVSA-N |
| Mol Weight | 688.8 g/mol |
| Molecular Formula | C39H51F3O7 |
| Exact Mass | 688.358688 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5tV9YgpSvVy |
|---|---|
| Name | QBNDMTPYQKZMFF-UDJBMOMVSA-N |
| Compound Number | 15 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H51F3O7 |
| InChI | InChI=1S/C39H51F3O7/c1-24(2)12-11-13-25(3)30-16-17-31(36(30,5)20-21-48-26(4)43)29-23-33(44)32-22-28(18-19-37(32,6)34(29)45)49-35(46)38(47-7,39(40,41)42)27-14-9-8-10-15-27/h8-10,14-15,22-25,28,30-31H,11-13,16-21H2,1-7H3/t25?,28-,30+,31-,36+,37+,38+/m1/s1 |
| InChIKey | QBNDMTPYQKZMFF-UDJBMOMVSA-N |
| Literature Reference Author | A.W.W.VANWYK,C.A.GRAY,C.E.WHIBLEY,O.OSONIYI,D.T.HENDRICKS,M. R.CAIRA,M.T.DAVIES-C |
| Literature Reference Citation | J.NAT.PROD.,71,420(2008) |
| Literature Reference DOI | 10.1021/np070612y |
| Molecular Weight | 688.825 g/mol |
| Sample ID | 27316 |
| Solvent | CDCl3 |