![#11;6-(BENZYLOXYCARBONYLAMINO)-HEXYL-6-O-BENZYL-2,3-DI-O-(4-FLUOROBENZOYL)-4-O-[2-(4-FLUOROPHENYL-SULFONYL)-ETHOXY-CARBOLYL]-BETA-D-GALACTOPYRANOSIDE](/api/spectrum/3BhoCVd6PSc/structure.png?h=300&w=458 "#11;6-(BENZYLOXYCARBONYLAMINO)-HEXYL-6-O-BENZYL-2,3-DI-O-(4-FLUOROBENZOYL)-4-O-[2-(4-FLUOROPHENYL-SULFONYL)-ETHOXY-CARBOLYL]-BETA-D-GALACTOPYRANOSIDE")
| SpectraBase Compound ID | 7XLzQCYTS6B |
|---|---|
| InChI | InChI=1S/C50H50F3NO14S/c51-38-19-15-36(16-20-38)46(55)66-44-43(68-50(58)63-29-30-69(59,60)41-25-23-40(53)24-26-41)42(33-61-31-34-11-5-3-6-12-34)65-48(45(44)67-47(56)37-17-21-39(52)22-18-37)62-28-10-2-1-9-27-54-49(57)64-32-35-13-7-4-8-14-35/h3-8,11-26,42-45,48H,1-2,9-10,27-33H2,(H,54,57)/t42-,43+,44+,45-,48-/m1/s1 |
| InChIKey | XFGKNSWCOKOTOK-RIYTZZJKSA-N |
| Mol Weight | 978.0 g/mol |
| Molecular Formula | C50H50F3NO14S |
| Exact Mass | 977.290411 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3BhoCVd6PSc |
|---|---|
| Name | #11;6-(BENZYLOXYCARBONYLAMINO)-HEXYL-6-O-BENZYL-2,3-DI-O-(4-FLUOROBENZOYL)-4-O-[2-(4-FLUOROPHENYL-SULFONYL)-ETHOXY-CARBOLYL]-BETA-D-GALACTOPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H50F3NO14S |
| InChI | InChI=1S/C50H50F3NO14S/c51-38-19-15-36(16-20-38)46(55)66-44-43(68-50(58)63-29-30-69(59,60)41-25-23-40(53)24-26-41)42(33-61-31-34-11-5-3-6-12-34)65-48(45(44)67-47(56)37-17-21-39(52)22-18-37)62-28-10-2-1-9-27-54-49(57)64-32-35-13-7-4-8-14-35/h3-8,11-26,42-45,48H,1-2,9-10,27-33H2,(H,54,57)/t42-,43+,44+,45-,48-/m1/s1 |
| InChIKey | XFGKNSWCOKOTOK-RIYTZZJKSA-N |
| Literature Reference Author | S.SPJUT,W.QIAN,M.ELOFSSON |
| Literature Reference Citation | MOLECULES,15,5708(2010) |
| Literature Reference DOI | 10.3390/molecules15085708 |
| Solvent | CDCl3 |
| Source File Reference | UWLU71563 |