| SpectraBase Compound ID | DHax6eYIH0N |
|---|---|
| InChI | InChI=1S/C54H68F3N11O7.HI/c1-51(2)37-17-6-8-21-41(37)67(5)43(51)23-16-24-44-52(3,4)38-18-7-9-22-42(38)68(44)32-15-12-25-45(69)59-31-14-11-20-39(63-48(72)35-26-28-36(29-27-35)53(65-66-53)54(55,56)57)49(73)61-33-46(70)60-34-47(71)62-40(50(74)64-75)19-10-13-30-58;/h6-9,16-18,21-24,26-29,39-40H,10-15,19-20,25,30-34,58H2,1-5H3,(H6-,59,60,61,62,63,64,65,66,69,70,71,72,73,74,75);1H/t39-,40+;/m1./s1 |
| InChIKey | KTVYNFRVSBTSGW-AANOXMMASA-N |
| Mol Weight | 1168.1 g/mol |
| Molecular Formula | C54H69F3IN11O7 |
| Exact Mass | 1167.437823 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5gjp9466M1g |
|---|---|
| Name | KTVYNFRVSBTSGW-AANOXMMASA-N |
| Compound Number | 5H |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H68F3IN11O7 |
| InChI | InChI=1S/C54H68F3N11O7.HI/c1-51(2)37-17-6-8-21-41(37)67(5)43(51)23-16-24-44-52(3,4)38-18-7-9-22-42(38)68(44)32-15-12-25-45(69)59-31-14-11-20-39(63-48(72)35-26-28-36(29-27-35)53(65-66-53)54(55,56)57)49(73)61-33-46(70)60-34-47(71)62-40(50(74)64-75)19-10-13-30-58;/h6-9,16-18,21-24,26-29,39-40H,10-15,19-20,25,30-34,58H2,1-5H3,(H6-,59,60,61,62,63,64,65,66,69,70,71,72,73,74,75);1H/t39-,40+;/m1./s1 |
| InChIKey | KTVYNFRVSBTSGW-AANOXMMASA-N |
| Literature Reference Author | E.W.S.CHAN,S.CHATTOPADHAYA,R.C.PANICKER,X.HUANG,S.Q.YAO |
| Literature Reference Citation | J.AM.CHEM.SOC.,126,14435(2004) |
| Literature Reference DOI | 10.1021/ja047044i |
| Solvent | CD3OD |
| Source File Reference | UWLU34860 |