| SpectraBase Compound ID | 42IqXceIORQ |
|---|---|
| InChI | InChI=1S/C36H44N12O6.C22H30N8O8.2C2HF3O2/c49-31-37-11-12-38(31)22-40-14-16-42(33(40)51)24-44-18-20-46(35(44)53)26-48-30(28-9-5-2-6-10-28)29(27-7-3-1-4-8-27)47(36(48)54)25-45-19-17-43(34(45)52)23-41-15-13-39(21-37)32(41)50;31-27(32)17-5-7-19(21(15-17)29(35)36)25-13-3-11-23-9-1-2-10-24-12-4-14-26-20-8-6-18(28(33)34)16-22(20)30(37)38;2*3-2(4,5)1(6)7/h1-10,29-30H,11-26H2;5-8,15-16,23-26H,1-4,9-14H2;2*(H,6,7) |
| InChIKey | RRRBACFFYFDGGB-UHFFFAOYSA-N |
| Mol Weight | 1503.402 g/mol |
| Molecular Formula | C62H76F6N20O18 |
| Exact Mass | 1502.555065 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 77ETdH32Ca3 |
|---|---|
| Name | RRRBACFFYFDGGB-UHFFFAOYSA-N |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C62H76F6N20O18 |
| InChI | InChI=1S/C36H44N12O6.C22H30N8O8.2C2HF3O2/c49-31-37-11-12-38(31)22-40-14-16-42(33(40)51)24-44-18-20-46(35(44)53)26-48-30(28-9-5-2-6-10-28)29(27-7-3-1-4-8-27)47(36(48)54)25-45-19-17-43(34(45)52)23-41-15-13-39(21-37)32(41)50;31-27(32)17-5-7-19(21(15-17)29(35)36)25-13-3-11-23-9-1-2-10-24-12-4-14-26-20-8-6-18(28(33)34)16-22(20)30(37)38;2*3-2(4,5)1(6)7/h1-10,29-30H,11-26H2;5-8,15-16,23-26H,1-4,9-14H2;2*(H,6,7) |
| InChIKey | RRRBACFFYFDGGB-UHFFFAOYSA-N |
| Literature Reference Author | H.ISOBE,S.SATO,E.NAKAMURA |
| Literature Reference Citation | ORG.LETTERS,4,1287(2002) |
| Literature Reference DOI | 10.1021/ol025749o |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ25163 |