| SpectraBase Compound ID | H2KFy5aA2WS |
|---|---|
| InChI | InChI=1S/C35H49F3N10O8S/c1-19(2)15-23(32(54)46-56)42-28(51)17-40-27(50)16-41-31(53)22(43-30(52)20-10-12-21(13-11-20)34(47-48-34)35(36,37)38)7-5-6-14-39-26(49)9-4-3-8-25-29-24(18-57-25)44-33(55)45-29/h10-13,19,22-25,29,56H,3-9,14-18H2,1-2H3,(H,39,49)(H,40,50)(H,41,53)(H,42,51)(H,43,52)(H,46,54)(H2,44,45,55)/t22-,23+,24-,25-,29-/m0/s1 |
| InChIKey | PTDBXPSWPIAMEX-CYNDTETISA-N |
| Mol Weight | 826.9 g/mol |
| Molecular Formula | C35H49F3N10O8S |
| Exact Mass | 826.340764 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7qGnbOZgzTS |
|---|---|
| Name | PTDBXPSWPIAMEX-CYNDTETISA-N |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H48F3N10O8S |
| InChI | InChI=1S/C35H49F3N10O8S/c1-19(2)15-23(32(54)46-56)42-28(51)17-40-27(50)16-41-31(53)22(43-30(52)20-10-12-21(13-11-20)34(47-48-34)35(36,37)38)7-5-6-14-39-26(49)9-4-3-8-25-29-24(18-57-25)44-33(55)45-29/h10-13,19,22-25,29,56H,3-9,14-18H2,1-2H3,(H,39,49)(H,40,50)(H,41,53)(H,42,51)(H,43,52)(H,46,54)(H2,44,45,55)/t22-,23+,24-,25-,29-/m0/s1 |
| InChIKey | PTDBXPSWPIAMEX-CYNDTETISA-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 | UWLU34862 |