| SpectraBase Compound ID | EilRSEmazxG |
|---|---|
| InChI | InChI=1S/C61H74F17N5O26/c1-28(84)97-23-38-43(102-30(3)86)45(104-32(5)88)47(106-34(7)90)49(108-38)99-25-53(26-100-50-48(107-35(8)91)46(105-33(6)89)44(103-31(4)87)39(109-50)24-98-29(2)85,82-42(94)21-81-41(93)17-16-40(92)80-20-36-12-14-37(15-13-36)22-83(96)52(9,10)11)27-101-51(95)79-19-18-54(62,63)55(64,65)56(66,67)57(68,69)58(70,71)59(72,73)60(74,75)61(76,77)78/h12-15,22,38-39,43-50H,16-21,23-27H2,1-11H3,(H,79,95)(H,80,92)(H,81,93)(H,82,94)/b83-22-/t38-,39-,43+,44+,45+,46+,47-,48-,49-,50-/m1/s1 |
| InChIKey | QBYSIGIETDDJLS-KHXZBAPISA-N |
| Mol Weight | 1616.2 g/mol |
| Molecular Formula | C61H74F17N5O26 |
| Exact Mass | 1615.435056 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4cHlIY8Cvnz |
|---|---|
| Name | QBYSIGIETDDJLS-KHXZBAPISA-N |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C61H74F17N5O26 |
| InChI | InChI=1S/C61H74F17N5O26/c1-28(84)97-23-38-43(102-30(3)86)45(104-32(5)88)47(106-34(7)90)49(108-38)99-25-53(26-100-50-48(107-35(8)91)46(105-33(6)89)44(103-31(4)87)39(109-50)24-98-29(2)85,82-42(94)21-81-41(93)17-16-40(92)80-20-36-12-14-37(15-13-36)22-83(96)52(9,10)11)27-101-51(95)79-19-18-54(62,63)55(64,65)56(66,67)57(68,69)58(70,71)59(72,73)60(74,75)61(76,77)78/h12-15,22,38-39,43-50H,16-21,23-27H2,1-11H3,(H,79,95)(H,80,92)(H,81,93)(H,82,94)/b83-22-/t38-,39-,43+,44+,45+,46+,47-,48-,49-,50-/m1/s1 |
| InChIKey | QBYSIGIETDDJLS-KHXZBAPISA-N |
| Literature Reference Author | O.OUARI,A.POLIDORI,B.PUCCI,P.TORDO,F.CHALIER |
| Literature Reference Citation | J.ORG.CHEM.,64,3554(1999) |
| Literature Reference DOI | 10.1021/jo982343+ |
| Molecular Weight | 1616.249 g/mol |
| Sample ID | 59234 |
| Solvent | CDCl3 |