| SpectraBase Compound ID | Il6BMQIPFtx |
|---|---|
| InChI | InChI=1S/2C35H27F5N6O6/c2*1-15(2)31(47)43-34-42-30-28(32(48)44-34)41-14-46(30)16-11-22(33(49)52-29-26(39)24(37)23(36)25(38)27(29)40)45(12-16)35(50)51-13-21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h2*3-10,14-16,21-22H,11-13H2,1-2H3,(H2,42,43,44,47,48)/t2*16-,22-/m11/s1 |
| InChIKey | HBXXDCPFJFCIHQ-GUCGGWNWSA-N |
| Mol Weight | 1445.3 g/mol |
| Molecular Formula | C70H54F10N12O12 |
| Exact Mass | 1444.382447 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8PtMq4RhEVW |
|---|---|
| Name | HBXXDCPFJFCIHQ-GUCGGWNWSA-N |
| Compound Number | 4-G(IBU) |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C70H54F10N12O12 |
| InChI | InChI=1S/2C35H27F5N6O6/c2*1-15(2)31(47)43-34-42-30-28(32(48)44-34)41-14-46(30)16-11-22(33(49)52-29-26(39)24(37)23(36)25(38)27(29)40)45(12-16)35(50)51-13-21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h2*3-10,14-16,21-22H,11-13H2,1-2H3,(H2,42,43,44,47,48)/t2*16-,22-/m11/s1 |
| InChIKey | HBXXDCPFJFCIHQ-GUCGGWNWSA-N |
| Literature Reference Author | T.VILAIVAN,C.SRICUWANNAKET |
| Literature Reference Citation | ORG.LETTERS,8,1897(2006) |
| Literature Reference DOI | 10.1021/ol060448q |
| Molecular Weight | 1445.256 g/mol |
| Sample ID | 53339 |
| Solvent | CDCl3 |